MassBank Record: MSBNK-Keio_Univ-KO003333
ACCESSION: MSBNK-Keio_Univ-KO003333
RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M003
CH$NAME: Met
CH$NAME: L-2-Amino-4methylthiobutyric acid
CH$NAME: L-Methionine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H11NO2S
CH$EXACT_MASS: 149.05105
CH$SMILES: N[C@@H](CCSC)C(O)=O
CH$IUPAC: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
CH$LINK: CAS
63-68-3
CH$LINK: CHEBI
16643
CH$LINK: CHEMPDB MET
CH$LINK: KEGG
C00073
CH$LINK: NIKKAJI
J9.174J
CH$LINK: PUBCHEM
SID:3373
CH$LINK: INCHIKEY
FFEARJCKVFRZRR-BYPYZUCNSA-N
CH$LINK: COMPTOX
DTXSID5040548
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 150
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-6900000000-6bf5af2d1c561013948a
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
44.900 89109.0 6
50.100 64356.5 4
54.900 103960.5 7
56.300 8103968.5 507
59.100 143564.5 9
60.200 99010.0 6
61.100 4623767.0 289
67.600 24752.5 2
68.900 84158.5 5
71.900 257426.0 16
73.000 3534657.0 221
74.000 2821785.0 177
74.900 277228.0 17
76.300 193069.5 12
76.900 183168.5 11
77.900 39604.0 2
80.000 14851.5 1
83.400 138614.0 9
84.200 995050.5 62
85.000 861387.0 54
86.200 1094060.5 68
87.300 2514854.0 157
88.700 89109.0 6
89.500 44554.5 3
91.000 277228.0 17
95.900 44554.5 3
97.000 123762.5 8
101.000 777228.5 49
101.800 5950501.0 372
104.100 15970313.0 999
105.000 599010.5 37
107.800 34653.5 2
114.400 1450496.5 91
115.400 801981.0 50
118.200 44554.5 3
122.200 163366.5 10
132.100 282178.5 18
133.100 7826740.5 490
150.300 1985150.5 124
//