MassBank Record: MSBNK-Keio_Univ-KO002195
ACCESSION: MSBNK-Keio_Univ-KO002195
RECORD_TITLE: N-Acetylmethionine; 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 A065
CH$NAME: N-Acetylmethionine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H13NO3S
CH$EXACT_MASS: 191.06161
CH$SMILES: CSCC[C@H](NC(C)=O)C(O)=O
CH$IUPAC: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
CH$LINK: CAS
65-82-7
CH$LINK: KEGG
C02712
CH$LINK: NIKKAJI
J4.840B
CH$LINK: PUBCHEM
SID:5675
CH$LINK: INCHIKEY
XUYPXLNMDZIRQH-LURJTMIESA-N
CH$LINK: COMPTOX
DTXSID00883214
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 192
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0k92-9500000000-5171045a6fc50c4963f9
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
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56.000 2391091.5 538
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111.400 143564.5 32
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175.400 178218.0 40
192.400 69307.0 16
//
system version 2.2.8-SNAPSHOT