Wm. Craig Byrdwell, phd

Taking Lipid Analysis into the 21st Century

Click HERE for a conveniently printable .pdf version of this mass list (six pages).

For Fatty Acid Abbreviations, see ‘Fatty Acids’ page.

Calculated monoisotopic masses of Fatty Acids and Triacylglycerols and their adducts and fragments are based on the following atomic isotope masses:

 

1H = 1.0078250321

12C = 12.000000

14N = 14.0030740052

16O = 15.9949146221

23Na = 22.98976967

31P = 30.97376151

 

These masses are the most recent suggested isotopic masses from the National Institute of Standards and Technology (NIST) at:

 

Physics.NIST.gov/

PhysRefData/Compositions/

© 2005-2018

The figures and tables on this website are copyrighted in 2005-2018 by William Craig Byrdwell and Byrdwell.com.  Please reference

 

Triacylglycerols.com

© 2005-2018

The figures and tables on this website are copyrighted in 2005-2018 by William Craig Byrdwell and Byrdwell.com.  Please reference

 

Triacylglycerols.com

© 2005-2018

The figures and tables on this website are copyrighted in 2005-2018 by William Craig Byrdwell and Byrdwell.com.  Please reference

 

Triacylglycerols.com

© 2005-2018

The figures and tables on this website are copyrighted in 2005-2018 by William Craig Byrdwell and Byrdwell.com.  Please reference

 

Triacylglycerols.com

© 2005-2018

The figures and tables on this website are copyrighted in 2005-2018 by William Craig Byrdwell and Byrdwell.com.  Please reference

 

Triacylglycerols.com

For Fatty Acid Abbreviations, see ‘Fatty Acids’ page.

For Fatty Acid Abbreviations, see ‘Fatty Acids’ page.

For Fatty Acid Abbreviations, see ‘Fatty Acids’ page.

For Fatty Acid Abbreviations, see ‘Fatty Acids’ page.

This page is best viewed by Internet Explorer.

Firefox causes undesirable overlap of data tables.

Abbrev.

ECN

Accurate

[M+H]+

Nominal

[M+NH4]+

[M+Na]+

[M+Li]+

DAG 1,2

DAG 2,3

DAG 1,3

LgLgLg

72

1143.11

1144.12

1144

1161.15

1165.09

1150.13

 

775.75

 

LgLgLa

60

974.92

975.93

975

992.96

996.91

981.94

775.75

607.57

 

LgLgM

62

1002.96

1003.96

1003

1020.99

1024.94

1009.97

775.75

635.60

 

LgLgP

64

1030.99

1031.99

1031

1049.02

1052.97

1038.00

775.75

663.63

 

LgLgPo

62

1028.97

1029.98

1029

1047.01

1050.95

1035.99

775.75

661.61

 

LgLgS

66

1059.02

1060.03

1059

1077.05

1081.00

1066.03

775.75

691.66

 

LgLgO

64

1057.00

1058.01

1057

1075.04

1078.98

1064.02

775.75

689.64

 

LgLgL

62

1054.99

1055.99

1055

1073.02

1076.97

1062.00

775.75

687.63

 

LgLgLn

60

1052.97

1053.98

1053

1071.01

1074.95

1059.99

775.75

685.61

 

LgLgA

68

1087.05

1088.06

1088

1105.08

1109.03

1094.07

775.75

719.69

 

LgLgG

66

1085.03

1086.04

1085

1103.07

1107.02

1092.05

775.75

717.68

 

LgLgB

70

1115.08

1116.09

1116

1133.12

1137.06

1122.10

775.75

747.72

 

LgLgE

68

1113.06

1114.07

1114

1131.10

1135.05

1120.08

775.75

745.71

 

LgLgN

70

1141.10

1142.10

1142

1159.13

1163.08

1148.11

775.75

773.74

 

LgLgCe

74

1171.14

1172.15

1172

1189.18

1193.13

1178.16

775.75

803.79

 

LgLgXi

72

1169.13

1170.14

1170

1187.16

1191.11

1176.14

775.75

801.77

 

LgLgMo

76

1199.17

1200.18

1200

1217.21

1221.16

1206.19

775.75

831.82

 

LgLg28:1

74

1197.16

1198.17

1198

1215.19

1219.14

1204.17

775.75

829.80

 

LgLg30

78

1227.21

1228.21

1228

1245.24

1249.19

1234.22

775.75

859.85

 

LgLg30:1

76

1225.19

1226.20

1226

1243.22

1247.17

1232.21

775.75

857.83

 

NNN

66

1137.06

1138.07

1138

1155.10

1159.05

1144.08

 

771.72

 

NNLa

56

970.89

971.90

971

988.93

992.87

977.91

771.72

607.57

 

NNM

58

998.92

999.93

999

1016.96

1020.91

1005.94

771.72

635.60

 

NNP

60

1026.96

1027.96

1027

1044.99

1048.94

1033.97

771.72

663.63

 

NNPo

58

1024.94

1025.95

1025

1042.97

1046.92

1031.96

771.72

661.61

 

NNS

62

1054.99

1055.99

1055

1073.02

1076.97

1062.00

771.72

691.66

 

NNO

60

1052.97

1053.98

1053

1071.01

1074.95

1059.99

771.72

689.64

 

NNL

58

1050.96

1051.96

1051

1068.99

1072.94

1057.97

771.72

687.63

 

NNLn

56

1048.94

1049.95

1049

1066.97

1070.92

1055.96

771.72

685.61

 

NNA

64

1083.02

1084.03

1083

1101.05

1105.00

1090.03

771.72

719.69

 

NNG

62

1081.00

1082.01

1081

1099.04

1102.98

1088.02

771.72

717.68

 

NNB

66

1111.05

1112.06

1112

1129.08

1133.03

1118.07

771.72

747.72

 

NNE

64

1109.03

1110.04

1109

1127.07

1131.02

1116.05

771.72

745.71

 

NNLg

68

1139.08

1140.09

1140

1157.12

1161.06

1146.10

771.72

775.75

 

NNCe

70

1167.11

1168.12

1168

1185.15

1189.09

1174.13

771.72

801.77

 

NNXi

68

1165.10

1166.10

1166

1183.13

1187.08

1172.11

771.72

799.75

 

NNMo

72

1195.14

1196.15

1196

1213.18

1217.13

1202.16

771.72

829.80

 

NN28:1

70

1193.13

1194.14

1194

1211.16

1215.11

1200.14

771.72

827.79

 

NN30

74

1223.17

1224.18

1224

1241.21

1245.16

1230.19

771.72

857.83

 

NN30:1

72

1221.16

1222.17

1222

1239.19

1243.14

1228.17

771.72

855.82

 

CeCeCe

78

1227.21

1228.21

1228

1245.24

1249.19

1234.22

 

831.82

 

XiXiXi

72

1221.16

1222.17

1222

1239.19

1243.14

1228.17

 

827.79

 

MoMoMo

84

1311.30

1312.31

1312

1329.33

1333.28

1318.32

 

887.88

 

28:1,28:1,28:1

78

1305.25

1306.26

1306

1323.29

1327.23

1312.27

 

883.85

 

30,30,30

90

1395.39

1396.40

1396

1413.43

1417.38

1402.41

 

943.94

 

30:1,30:1,30:1

84

1389.35

1390.35

1390

1407.38

1411.33

1396.36

 

939.91

 

32,32,32

96

1479.49

1480.50

1480

1497.52

1501.47

1486.50

 

1000.00

 

32:1,32:1,32:1

90

1473.44

1474.45

1474

1491.47

1495.42

1480.46

 

995.97

 

34,34,34

102

1563.58

1564.59

1564

1581.62

1585.56

1570.60

 

1056.07

 

34:1,34:1,34:1

96

1557.53

1558.54

1558

1575.57

1579.52

1564.55

 

1052.04

 

36,36,36

108

1647.68

1648.68

1648

1665.71

1669.66

1654.69

 

1112.13

 

36:1,36:1,36:1

102

1641.63

1642.64

1642

1659.66

1663.61

1648.64

 

1108.10

 

Abbrev.

ECN

Accurate

[M+H]+

Nominal

[M+NH4]+

[M+Na]+

[M+Li]+

DAG 1,2

DAG 2,3

DAG 1,3

LLL

42

878.74

879.74

879

896.77

900.72

885.75

 

599.50

 

LLLa

40

798.67

799.68

799

816.71

820.66

805.69

599.50

519.44

 

LLM

42

826.71

827.71

827

844.74

848.69

833.72

599.50

547.47

 

LLP

44

854.74

855.74

855

872.77

876.72

861.75

599.50

575.50

 

LLPo

42

852.72

853.73

853

870.76

874.70

859.74

599.50

573.49

 

LLS

46

882.77

883.78

883

900.80

904.75

889.78

599.50

603.54

 

LLO

44

880.75

881.76

881

898.79

902.73

887.77

599.50

601.52

 

LLLn

40

876.72

877.73

877

894.76

898.70

883.74

599.50

597.49

 

LLA

48

910.80

911.81

911

928.83

932.78

917.81

599.50

631.57

 

LLG

46

908.78

909.79

909

926.82

930.77

915.80

599.50

629.55

 

LLB

50

938.83

939.84

939

956.86

960.81

945.85

599.50

659.60

 

LLE

48

936.81

937.82

937

954.85

958.80

943.83

599.50

657.58

 

LLLg

52

966.86

967.87

967

984.90

988.84

973.88

599.50

687.63

 

LLN

50

964.85

965.85

965

982.88

986.83

971.86

599.50

685.61

 

LLCe

54

994.89

995.90

995

1012.93

1016.87

1001.91

599.50

715.66

 

LLXi

52

992.88

993.89

993

1010.91

1014.86

999.89

599.50

713.64

 

LLMo

56

1022.92

1023.93

1023

1040.96

1044.91

1029.94

599.50

743.69

 

LL28:1

54

1020.91

1021.92

1021

1038.94

1042.89

1027.92

599.50

741.68

 

LL30

58

1050.96

1051.96

1051

1068.99

1072.94

1057.97

599.50

771.72

 

LL30:1

56

1048.94

1049.95

1049

1066.97

1070.92

1055.96

599.50

769.71

 

LnLnLn

36

872.69

873.70

873

890.72

894.67

879.71

 

595.47

 

LnLnLa

36

794.64

795.65

795

812.68

816.62

801.66

595.47

517.43

 

LnLnM

38

822.67

823.68

823

840.71

844.66

829.69

595.47

545.46

 

LnLnP

40

850.71

851.71

851

868.74

872.69

857.72

595.47

573.49

 

LnLnPo

38

848.69

849.70

849

866.72

870.67

855.71

595.47

571.47

 

LnLnS

42

878.74

879.74

879

896.77

900.72

885.75

595.47

601.52

 

LnLnO

40

876.72

877.73

877

894.76

898.70

883.74

595.47

599.50

 

LnLnL

38

874.71

875.71

875

892.74

896.69

881.72

595.47

597.49

 

LnLnA

44

906.77

907.78

907

924.80

928.75

913.78

595.47

629.55

 

LnLnG

42

904.75

905.76

905

922.79

926.73

911.77

595.47

627.54

 

LnLnB

46

934.80

935.81

935

952.83

956.78

941.81

595.47

657.58

 

LnLnE

44

932.78

933.79

933

950.82

954.77

939.80

595.47

655.57

 

LnLnLg

48

962.83

963.84

963

980.86

984.81

969.85

595.47

685.61

 

LnLnN

46

960.81

961.82

961

978.85

982.80

967.83

595.47

683.60

 

LnLnCe

50

990.86

991.87

991

1008.90

1012.84

997.88

595.47

713.64

 

LnLnXi

48

988.85

989.85

989

1006.88

1010.83

995.86

595.47

711.63

 

LnLnMo

52

1018.89

1019.90

1019

1036.93

1040.87

1025.91

595.47

741.68

 

LnLn28:1

50

1016.88

1017.89

1017

1034.91

1038.86

1023.89

595.47

739.66

 

LnLn30

54

1046.92

1047.93

1047

1064.96

1068.91

1053.94

595.47

769.71

 

LnLn30:1

52

1044.91

1045.92

1045

1062.94

1066.89

1051.92

595.47

767.69

 

AAA

60

974.92

975.93

975

992.96

996.91

981.94

 

663.63

 

AALa

52

862.80

863.81

863

880.83

884.78

869.81

663.63

551.50

 

AAM

54

890.83

891.84

891

908.86

912.81

897.85

663.63

579.54

 

AAP

56

918.86

919.87

919

936.90

940.84

925.88

663.63

607.57

 

AAPo

54

916.85

917.85

917

934.88

938.83

923.86

663.63

605.55

 

AAS

58

946.89

947.90

947

964.93

968.87

953.91

663.63

635.60

 

AAO

56

944.88

945.89

945

962.91

966.86

951.89

663.63

633.58

 

AAL

54

942.86

943.87

943

960.90

964.84

949.88

663.63

631.57

 

AALn

52

940.85

941.85

941

958.88

962.83

947.86

663.63

629.55

 

AAG

58

972.91

973.92

973

990.94

994.89

979.92

663.63

661.61

 

AAB

62

1002.96

1003.96

1003

1020.99

1024.94

1009.97

663.63

691.66

 

AAE

60

1000.94

1001.95

1001

1018.97

1022.92

1007.96

663.63

689.64

 

AALg

64

1030.99

1031.99

1031

1049.02

1052.97

1038.00

663.63

719.69

 

AAN

62

1028.97

1029.98

1029

1047.01

1050.95

1035.99

663.63

717.68

 

AACe

66

1059.02

1060.03

1059

1077.05

1081.00

1066.03

663.63

747.72

 

AAXi

64

1057.00

1058.01

1057

1075.04

1078.98

1064.02

663.63

745.71

 

AAMo

68

1087.05

1088.06

1088

1105.08

1109.03

1094.07

663.63

775.75

 

AA28:1

66

1085.03

1086.04

1085

1103.07

1107.02

1092.05

663.63

773.74

 

AA30

70

1115.08

1116.09

1116

1133.12

1137.06

1122.10

663.63

803.79

 

AA30:1

68

1113.06

1114.07

1114

1131.10

1135.05

1120.08

663.63

801.77

 

Abbrev.

ECN

Accurate

[M+H]+

Nominal

[M+NH4]+

[M+Na]+

[M+Li]+

DAG 1,2

DAG 2,3

DAG 1,3

GGG

54

968.88

969.89

969

986.91

990.86

975.89

 

659.60

 

GGLa

48

858.77

859.78

859

876.80

880.75

865.78

659.60

549.49

 

GGM

50

886.80

887.81

887

904.83

908.78

893.81

659.60

577.52

 

GGP

52

914.83

915.84

915

932.86

936.81

921.85

659.60

605.55

 

GGPo

50

912.81

913.82

913

930.85

934.80

919.83

659.60

603.54

 

GGS

54

942.86

943.87

943

960.90

964.84

949.88

659.60

633.58

 

GGO

52

940.85

941.85

941

958.88

962.83

947.86

659.60

631.57

 

GGL

50

938.83

939.84

939

956.86

960.81

945.85

659.60

629.55

 

GGLn

48

936.81

937.82

937

954.85

958.80

943.83

659.60

627.54

 

GGA

56

970.89

971.90

971

988.93

992.87

977.91

659.60

661.61

 

GGB

58

998.92

999.93

999

1016.96

1020.91

1005.94

659.60

689.64

 

GGE

56

996.91

997.92

997

1014.94

1018.89

1003.92

659.60

687.63

 

GGLg

60

1026.96

1027.96

1027

1044.99

1048.94

1033.97

659.60

717.68

 

GGN

58

1024.94

1025.95

1025

1042.97

1046.92

1031.96

659.60

715.66

 

GGCe

62

1054.99

1055.99

1055

1073.02

1076.97

1062.00

659.60

745.71

 

GGXi

60

1052.97

1053.98

1053

1071.01

1074.95

1059.99

659.60

743.69

 

GGMo

64

1083.02

1084.03

1083

1101.05

1105.00

1090.03

659.60

773.74

 

GG28:1

62

1081.00

1082.01

1081

1099.04

1102.98

1088.02

659.60

771.72

 

GG30

66

1111.05

1112.06

1112

1129.08

1133.03

1118.07

659.60

801.77

 

GG30:1

64

1109.03

1110.04

1109

1127.07

1131.02

1116.05

659.60

799.75

 

BBB

66

1059.02

1060.03

1059

1077.05

1081.00

1066.03

 

719.69

 

BBLa

56

918.86

919.87

919

936.90

940.84

925.88

719.69

579.54

 

BBM

58

946.89

947.90

947

964.93

968.87

953.91

719.69

607.57

 

BBP

60

974.92

975.93

975

992.96

996.91

981.94

719.69

635.60

 

BBPo

58

972.91

973.92

973

990.94

994.89

979.92

719.69

633.58

 

BBS

62

1002.96

1003.96

1003

1020.99

1024.94

1009.97

719.69

663.63

 

BBO

60

1000.94

1001.95

1001

1018.97

1022.92

1007.96

719.69

661.61

 

BBL

58

998.92

999.93

999

1016.96

1020.91

1005.94

719.69

659.60

 

BBLn

56

996.91

997.92

997

1014.94

1018.89

1003.92

719.69

657.58

 

BBA

64

1030.99

1031.99

1031

1049.02

1052.97

1038.00

719.69

691.66

 

BBG

62

1028.97

1029.98

1029

1047.01

1050.95

1035.99

719.69

689.64

 

BBE

64

1057.00

1058.01

1057

1075.04

1078.98

1064.02

719.69

717.68

 

BBLg

68

1087.05

1088.06

1088

1105.08

1109.03

1094.07

719.69

747.72

 

BBN

66

1085.03

1086.04

1085

1103.07

1107.02

1092.05

719.69

745.71

 

BBCe

70

1115.08

1116.09

1116

1133.12

1137.06

1122.10

719.69

775.75

 

BBXi

68

1113.06

1114.07

1114

1131.10

1135.05

1120.08

719.69

773.74

 

BBMo

72

1143.11

1144.12

1144

1161.15

1165.09

1150.13

719.69

803.79

 

BB28:1

70

1141.10

1142.10

1142

1159.13

1163.08

1148.11

719.69

801.77

 

BB30

74

1171.14

1172.15

1172

1189.18

1193.13

1178.16

719.69

831.82

 

BB30:1

72

1169.13

1170.14

1170

1187.16

1191.11

1176.14

719.69

829.80

 

EEE

60

1052.97

1053.98

1053

1071.01

1074.95

1059.99

 

715.66

 

EELa

52

914.83

915.84

915

932.86

936.81

921.85

715.66

577.52

 

EEM

54

942.86

943.87

943

960.90

964.84

949.88

715.66

605.55

 

EEP

56

970.89

971.90

971

988.93

992.87

977.91

715.66

633.58

 

EEPo

54

968.88

969.89

969

986.91

990.86

975.89

715.66

631.57

 

EES

58

998.92

999.93

999

1016.96

1020.91

1005.94

715.66

661.61

 

EEO

56

996.91

997.92

997

1014.94

1018.89

1003.92

715.66

659.60

 

EEL

54

994.89

995.90

995

1012.93

1016.87

1001.91

715.66

657.58

 

EELn

52

992.88

993.89

993

1010.91

1014.86

999.89

715.66

655.57

 

EEA

60

1026.96

1027.96

1027

1044.99

1048.94

1033.97

715.66

689.64

 

EEG

58

1024.94

1025.95

1025

1042.97

1046.92

1031.96

715.66

687.63

 

EEB

62

1054.99

1055.99

1055

1073.02

1076.97

1062.00

715.66

717.68

 

EELg

64

1083.02

1084.03

1083

1101.05

1105.00

1090.03

715.66

745.71

 

EEN

62

1081.00

1082.01

1081

1099.04

1102.98

1088.02

715.66

743.69

 

EECe

66

1111.05

1112.06

1112

1129.08

1133.03

1118.07

715.66

773.74

 

EEXi

64

1109.03

1110.04

1109

1127.07

1131.02

1116.05

715.66

771.72

 

EEMo

68

1139.08

1140.09

1140

1157.12

1161.06

1146.10

715.66

801.77

 

EE28:1

66

1137.06

1138.07

1138

1155.10

1159.05

1144.08

715.66

799.75

 

EE30

70

1167.11

1168.12

1168

1185.15

1189.09

1174.13

715.66

829.80

 

EE30:1

68

1165.10

1166.10

1166

1183.13

1187.08

1172.11

715.66

827.79

 

AAA and AAB Triacylglycerols by Name

 

 

Mass

 

Mass

 

 

 

 

 

 

Abbrev.

ECN

Accurate

[M+H]+

Nominal

[M+NH4]+

[M+Na]+

[M+Li]+

DAG 1,2

DAG 2,3

DAG 1,3

 

 

 

 

 

 

 

 

 

 

 

LaLaLa

36

638.55

639.56

639

656.58

660.53

645.56

 

439.38

 

LaLaM

38

666.58

667.59

667

684.61

688.56

673.60

439.38

467.41

 

LaLaP

40

694.61

695.62

695

712.65

716.59

701.63

439.38

495.44

 

LaLaPo

38

692.60

693.60

693

710.63

714.58

699.61

439.38

493.43

 

LaLaS

42

722.64

723.65

723

740.68

744.62

729.66

439.38

523.47

 

LaLaO

40

720.63

721.63

721

738.66

742.61

727.64

439.38

521.46

 

LaLaL

38

718.61

719.62

719

736.65

740.59

725.63

439.38

519.44

 

LaLaLn

36

716.60

717.60

717

734.63

738.58

723.61

439.38

517.43

 

LaLaA

44

750.67

751.68

751

768.71

772.66

757.69

439.38

551.50

 

LaLaG

42

748.66

749.67

749

766.69

770.64

755.67

439.38

549.49

 

LaLaB

46

778.71

779.71

779

796.74

800.69

785.72

439.38

579.54

 

LaLaE

44

776.69

777.70

777

794.72

798.67

783.71

439.38

577.52

 

LaLaLg

48

806.74

807.74

807

824.77

828.72

813.75

439.38

607.57

 

LaLaN

46

804.72

805.73

805

822.76

826.70

811.74

439.38

605.55

 

LaLaCe

50

834.77

835.78

835

852.80

856.75

841.78

439.38

635.60

 

LaLaXi

48

832.75

833.76

833

850.79

854.73

839.77

439.38

633.58

 

LaLaMo

52

862.80

863.81

863

880.83

884.78

869.81

439.38

663.63

 

LaLa28:1

50

860.78

861.79

861

878.82

882.77

867.80

439.38

661.61

 

LaLa30

54

890.83

891.84

891

908.86

912.81

897.85

439.38

691.66

 

LaLa30:1

52

888.81

889.82

889

906.85

910.80

895.83

439.38

689.64

 

MMM

42

722.64

723.65

723

740.68

744.62

729.66

 

495.44

 

MMLa

40

694.61

695.62

695

712.65

716.59

701.63

495.44

467.41

 

MMP

44

750.67

751.68

751

768.71

772.66

757.69

495.44

523.47

 

MMPo

42

748.66

749.67

749

766.69

770.64

755.67

495.44

521.46

 

MMS

46

778.71

779.71

779

796.74

800.69

785.72

495.44

551.50

 

MMO

44

776.69

777.70

777

794.72

798.67

783.71

495.44

549.49

 

MML

42

774.67

775.68

775

792.71

796.66

781.69

495.44

547.47

 

MMLn

40

772.66

773.67

773

790.69

794.64

779.67

495.44

545.46

 

MMA

48

806.74

807.74

807

824.77

828.72

813.75

495.44

579.54

 

MMG

46

804.72

805.73

805

822.76

826.70

811.74

495.44

577.52

 

MMB

50

834.77

835.78

835

852.80

856.75

841.78

495.44

607.57

 

MME

48

832.75

833.76

833

850.79

854.73

839.77

495.44

605.55

 

MMLg

52

862.80

863.81

863

880.83

884.78

869.81

495.44

635.60

 

MMN

50

860.78

861.79

861

878.82

882.77

867.80

495.44

633.58

 

MMCe

54

890.83

891.84

891

908.86

912.81

897.85

495.44

663.63

 

MMXi

52

888.81

889.82

889

906.85

910.80

895.83

495.44

661.61

 

MMMo

56

918.86

919.87

919

936.90

940.84

925.88

495.44

691.66

 

MM28:1

54

916.85

917.85

917

934.88

938.83

923.86

495.44

689.64

 

MM30

58

946.89

947.90

947

964.93

968.87

953.91

495.44

719.69

 

MM30:1

56

944.88

945.89

945

962.91

966.86

951.89

495.44

717.68

 

PPP

48

806.74

807.74

807

824.77

828.72

813.75

 

551.50

 

PPLa

44

750.67

751.68

751

768.71

772.66

757.69

551.50

495.44

 

PPM

46

778.71

779.71

779

796.74

800.69

785.72

551.50

523.47

 

PPPo

46

804.72

805.73

805

822.76

826.70

811.74

551.50

549.49

 

PPS

50

834.77

835.78

835

852.80

856.75

841.78

551.50

579.54

 

PPO

48

832.75

833.76

833

850.79

854.73

839.77

551.50

577.52

 

PPL

46

830.74

831.74

831

848.77

852.72

837.75

551.50

575.50

 

PPLn

44

828.72

829.73

829

846.76

850.70

835.74

551.50

573.49

 

PPA

52

862.80

863.81

863

880.83

884.78

869.81

551.50

607.57

 

PPG

50

860.78

861.79

861

878.82

882.77

867.80

551.50

605.55

 

PPB

54

890.83

891.84

891

908.86

912.81

897.85

551.50

635.60

 

PPE

52

888.81

889.82

889

906.85

910.80

895.83

551.50

633.58

 

PPLg

56

918.86

919.87

919

936.90

940.84

925.88

551.50

663.63

 

PPN

54

916.85

917.85

917

934.88

938.83

923.86

551.50

661.61

 

PPCe

58

946.89

947.90

947

964.93

968.87

953.91

551.50

691.66

 

PPXi

56

944.88

945.89

945

962.91

966.86

951.89

551.50

689.64

 

PPMo

60

974.92

975.93

975

992.96

996.91

981.94

551.50

719.69

 

PP28:1

58

972.91

973.92

973

990.94

994.89

979.92

551.50

717.68

 

PP30

62

1002.96

1003.96

1003

1020.99

1024.94

1009.97

551.50

747.72

 

PP30:1

60

1000.94

1001.95

1001

1018.97

1022.92

1007.96

551.50

745.71

 

Abbrev.

ECN

Accurate

[M+H]+

Nominal

[M+NH4]+

[M+Na]+

[M+Li]+

DAG 1,2

DAG 2,3

DAG 1,3

PoPoPo

42

800.69

801.70

801

818.72

822.67

807.71

 

547.47

 

PoPoLa

40

746.64

747.65

747

764.68

768.62

753.66

547.47

493.43

 

PoPoM

42

774.67

775.68

775

792.71

796.66

781.69

547.47

521.46

 

PoPoP

44

802.71

803.71

803

820.74

824.69

809.72

547.47

549.49

 

PoPoS

46

830.74

831.74

831

848.77

852.72

837.75

547.47

577.52

 

PoPoO

44

828.72

829.73

829

846.76

850.70

835.74

547.47

575.50

 

PoPoL

42

826.71

827.71

827

844.74

848.69

833.72

547.47

573.49

 

PoPoLn

40

824.69

825.70

825

842.72

846.67

831.71

547.47

571.47

 

PoPoA

48

858.77

859.78

859

876.80

880.75

865.78

547.47

605.55

 

PoPoG

46

856.75

857.76

857

874.79

878.73

863.77

547.47

603.54

 

PoPoB

50

886.80

887.81

887

904.83

908.78

893.81

547.47

633.58

 

PoPoE

48

884.78

885.79

885

902.82

906.77

891.80

547.47

631.57

 

PoPoLg

52

914.83

915.84

915

932.86

936.81

921.85

547.47

661.61

 

PoPoN

50

912.81

913.82

913

930.85

934.80

919.83

547.47

659.60

 

PoPoCe

54

942.86

943.87

943

960.90

964.84

949.88

547.47

689.64

 

PoPoXi

52

940.85

941.85

941

958.88

962.83

947.86

547.47

687.63

 

PoPoMo

56

970.89

971.90

971

988.93

992.87

977.91

547.47

717.68

 

PoPo28:1

54

968.88

969.89

969

986.91

990.86

975.89

547.47

715.66

 

PoPo30

58

998.92

999.93

999

1016.96

1020.91

1005.94

547.47

745.71

 

PoPo30:1

56

996.91

997.92

997

1014.94

1018.89

1003.92

547.47

743.69

 

SSS

54

890.83

891.84

891

908.86

912.81

897.85

 

607.57

 

SSLa

48

806.74

807.74

807

824.77

828.72

813.75

607.57

523.47

 

SSM

50

834.77

835.78

835

852.80

856.75

841.78

607.57

551.50

 

SSP

52

862.80

863.81

863

880.83

884.78

869.81

607.57

579.54

 

SSPo

50

860.78

861.79

861

878.82

882.77

867.80

607.57

577.52

 

SSO

52

888.81

889.82

889

906.85

910.80

895.83

607.57

605.55

 

SSL

50

886.80

887.81

887

904.83

908.78

893.81

607.57

603.54

 

SSLn

48

884.78

885.79

885

902.82

906.77

891.80

607.57

601.52

 

SSA

56

918.86

919.87

919

936.90

940.84

925.88

607.57

635.60

 

SSG

54

916.85

917.85

917

934.88

938.83

923.86

607.57

633.58

 

SSB

58

946.89

947.90

947

964.93

968.87

953.91

607.57

663.63

 

SSE

56

944.88

945.89

945

962.91

966.86

951.89

607.57

661.61

 

SSLg

60

974.92

975.93

975

992.96

996.91

981.94

607.57

691.66

 

SSN

58

972.91

973.92

973

990.94

994.89

979.92

607.57

689.64

 

SSCe

62

1002.96

1003.96

1003

1020.99

1024.94

1009.97

607.57

719.69

 

SSXi

60

1000.94

1001.95

1001

1018.97

1022.92

1007.96

607.57

717.68

 

SSMo

64

1030.99

1031.99

1031

1049.02

1052.97

1038.00

607.57

747.72

 

SS28:1

62

1028.97

1029.98

1029

1047.01

1050.95

1035.99

607.57

745.71

 

SS30

66

1059.02

1060.03

1059

1077.05

1081.00

1066.03

607.57

775.75

 

SS30:1

64

1057.00

1058.01

1057

1075.04

1078.98

1064.02

607.57

773.74

 

OOO

48

884.78

885.79

885

902.82

906.77

891.80

 

603.54

 

OOLa

44

802.71

803.71

803

820.74

824.69

809.72

603.54

521.46

 

OOM

46

830.74

831.74

831

848.77

852.72

837.75

603.54

549.49

 

OOP

48

858.77

859.78

859

876.80

880.75

865.78

603.54

577.52

 

OOPo

46

856.75

857.76

857

874.79

878.73

863.77

603.54

575.50

 

OOS

50

886.80

887.81

887

904.83

908.78

893.81

603.54

605.55

 

OOL

46

882.77

883.78

883

900.80

904.75

889.78

603.54

601.52

 

OOLn

44

880.75

881.76

881

898.79

902.73

887.77

603.54

599.50

 

OOA

52

914.83

915.84

915

932.86

936.81

921.85

603.54

633.58

 

OOG

50

912.81

913.82

913

930.85

934.80

919.83

603.54

631.57

 

OOB

54

942.86

943.87

943

960.90

964.84

949.88

603.54

661.61

 

OOE

52

940.85

941.85

941

958.88

962.83

947.86

603.54

659.60

 

OOLg

56

970.89

971.90

971

988.93

992.87

977.91

603.54

689.64

 

OON

54

968.88

969.89

969

986.91

990.86

975.89

603.54

687.63

 

OOCe

58

998.92

999.93

999

1016.96

1020.91

1005.94

603.54

717.68

 

OOXi

56

996.91

997.92

997

1014.94

1018.89

1003.92

603.54

715.66

 

OOMo

60

1026.96

1027.96

1027

1044.99

1048.94

1033.97

603.54

745.71

 

OO28:1

58

1024.94

1025.95

1025

1042.97

1046.92

1031.96

603.54

743.69

 

OO30

62

1054.99

1055.99

1055

1073.02

1076.97

1062.00

603.54

773.74

 

OO30:1

60

1052.97

1053.98

1053

1071.01

1074.95

1059.99

603.54

771.72