MassBank Record: KO002193



 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: KO002193
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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 192 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-0900000000-4826c0abe069970d9768 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 39.100 168317.0 8 63.300 24752.5 1 71.000 64356.5 3 74.000 2480200.5 120 78.000 336634.0 16 83.300 14851.5 1 97.900 311881.5 15 99.100 113861.5 6 101.000 336634.0 16 101.700 54455.5 3 104.100 1683170.0 82 113.000 74257.5 4 115.400 188119.0 9 117.400 133663.5 6 119.100 1410892.5 68 122.200 49505.0 2 124.400 69307.0 3 128.800 24752.5 1 132.000 133663.5 6 133.000 108911.0 5 133.800 24752.5 1 138.100 64356.5 3 139.000 69307.0 3 142.800 594060.0 29 144.200 6702977.0 325 146.300 5029708.0 244 150.100 3138617.0 152 155.800 44554.5 2 157.400 475248.0 23 160.200 643565.0 31 162.400 24752.5 1 174.100 6762383.0 328 175.100 6816838.5 331 178.400 94059.5 5 192.300 20603981.0 999 //