MassBank Record: MSBNK-Keio_Univ-KO001310
ACCESSION: MSBNK-Keio_Univ-KO001310
RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:10 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 148
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0900000000-9156f088f4cc9eafa892
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
46.800 490099.5 12
100.300 742575.0 18
110.200 84158.5 2
111.700 44554.5 1
114.800 673268.0 16
129.800 34653.5 1
148.000 40930734.0 999
//