ACCESSION: MSBNK-Keio_Univ-KO000129
RECORD_TITLE: N-Acetylmethionine; 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 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 190
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0005-1900000000-d059fe0be6d1a5b4b084
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  47.100 4331687.5 171
  69.900 29703.0 1
  72.100 212871.5 8
  84.200 3074260.5 121
  97.900 4485153.0 177
  99.900 410891.5 16
  112.200 2247527.0 89
  114.000 108911.0 4
  129.500 69307.0 3
  130.200 64356.5 3
  141.900 19272296.5 759
  146.000 212871.5 8
  148.000 25366362.0 999
  151.800 9901.0 1
  157.000 1806932.5 71
  190.200 8014859.5 316
//