MassBank Record: KO002874



 L-Ethionine; 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: KO002874
RECORD_TITLE: L-Ethionine; 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 E056

CH$NAME: Ethionine CH$NAME: L-Ethionine CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H13NO2S CH$EXACT_MASS: 163.06670 CH$SMILES: CCSCC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 CH$LINK: CAS 13073-35-3 CH$LINK: KEGG C11227 CH$LINK: NIKKAJI J9.260F CH$LINK: PUBCHEM SID:13406
AC$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$FOCUSED_ION: PRECURSOR_M/Z 164 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-4b46db5a49629a912035 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 50.000 391089.5 20 62.800 103960.5 5 63.300 143564.5 7 68.100 69307.0 4 71.100 39604.0 2 71.900 9901.0 1 74.000 84158.5 4 78.200 1094060.5 56 81.300 19802.0 1 82.000 99010.0 5 84.400 24752.5 1 85.000 24752.5 1 87.200 108911.0 6 92.300 14851.5 1 97.200 29703.0 2 100.200 24752.5 1 101.100 326733.0 17 102.200 460396.5 24 104.000 94059.5 5 105.000 123762.5 6 107.100 29703.0 2 109.700 49505.0 3 111.100 207921.0 11 115.300 1287130.0 66 118.000 2935646.5 150 118.900 1519803.5 78 121.600 49505.0 3 122.800 14851.5 1 129.300 1524754.0 78 131.800 207921.0 11 135.900 14851.5 1 146.500 153465.5 8 147.100 9435653.0 482 164.200 19539623.5 999 //