MassBank Record: KO002878



 L-Ethionine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002878
RECORD_TITLE: L-Ethionine; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 164 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0ab9-9000000000-32ce993cbd1535b62770 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 47.000 64356.5 245 55.300 54455.5 207 56.200 262376.5 999 73.300 14851.5 57 74.900 262376.5 999 89.700 14851.5 57 91.800 44554.5 170 //