MassBank Record: KO000129



 N-Acetylmethionine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //