MassBank Record: KO002195



 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: 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
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. 39.100 173267.5 39 43.200 193069.5 43 56.000 2391091.5 538 59.200 39604.0 9 60.900 2217824.0 499 68.100 410891.5 92 71.300 34653.5 8 72.900 94059.5 21 73.900 1950497.0 439 83.300 113861.5 26 84.200 163366.5 37 85.000 153465.5 35 86.700 287129.0 65 88.200 198020.0 45 89.000 29703.0 7 90.900 59406.0 13 93.000 14851.5 3 95.100 24752.5 6 98.100 4440598.5 999 98.900 24752.5 6 101.000 54455.5 12 102.000 851486.0 192 104.100 2881191.0 648 104.900 316832.0 71 111.400 143564.5 32 115.100 108911.0 25 116.900 49505.0 11 119.200 792080.0 178 127.800 24752.5 6 130.600 24752.5 6 133.000 1034654.5 233 142.100 138614.0 31 144.300 549505.5 124 150.200 202970.5 46 157.100 242574.5 55 159.800 54455.5 12 175.400 178218.0 40 192.400 69307.0 16 //