MassBank Record: MSBNK-Keio_Univ-KO003334
ACCESSION: MSBNK-Keio_Univ-KO003334
RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 150
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-08fr-9000000000-a2fd1b96dfe93d6f32a0
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
41.200 89109.0 7
42.800 44554.5 3
44.000 44554.5 3
44.700 217822.0 16
46.000 74257.5 6
53.300 49505.0 4
55.000 252475.5 19
56.200 9579217.5 711
57.300 94059.5 7
58.100 34653.5 3
59.100 173267.5 13
60.400 128713.0 10
61.000 13465360.0 999
68.000 133663.5 10
69.300 59406.0 4
71.200 39604.0 3
72.000 193069.5 14
73.100 688119.5 51
74.000 2792082.0 207
75.100 198020.0 15
77.000 153465.5 11
78.400 29703.0 2
79.000 39604.0 3
84.200 717822.5 53
84.900 757426.5 56
86.100 396040.0 29
87.000 1732675.0 129
91.000 272277.5 20
96.200 29703.0 2
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101.800 920793.0 68
103.900 618812.5 46
105.000 128713.0 10
113.900 84158.5 6
122.100 34653.5 3
123.400 24752.5 2
132.000 79208.0 6
133.000 267327.0 20
150.200 69307.0 5
//