MassBank Record: KO000130



 N-Acetylmethionine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000130
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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 190 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9100000000-43df5a1503ce3f2cf758 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 40.200 14851.5 1 41.100 103960.5 9 42.300 39604.0 4 47.100 11138625.0 999 56.500 89109.0 8 57.300 193069.5 17 58.200 79208.0 7 61.000 14851.5 1 70.000 54455.5 5 70.800 217822.0 20 72.100 44554.5 4 81.700 49505.0 4 84.200 4881193.0 438 98.000 1178219.0 106 100.100 396040.0 36 111.000 19802.0 2 112.200 1148516.0 103 114.400 118812.0 11 131.000 34653.5 3 141.900 891090.0 80 148.300 1232674.5 111 157.100 143564.5 13 //