MassBank Record: KO000128



 N-Acetylmethionine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000128
RECORD_TITLE: N-Acetylmethionine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 190 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-0900000000-08cead5b5b6a03d6ba5a PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 46.600 44554.5 1 59.100 14851.5 1 98.300 316832.0 2 112.400 69307.0 1 129.700 99010.0 1 131.000 24752.5 1 142.100 7202977.5 56 146.500 113861.5 1 148.100 7574265.0 59 157.400 2455448.0 19 190.100 128411019.5 999 //