MassBank Record: WA000035



 Oxycarboxin; 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: WA000035
RECORD_TITLE: Oxycarboxin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Oxycarboxin CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H13NO4S CH$EXACT_MASS: 267.05653 CH$SMILES: c(c2)ccc(c2)NC(=O)C(=C(C)1)S(=O)(=O)CCO1 CH$IUPAC: InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) CH$LINK: CAS 5259-88-1
AC$INSTRUMENT: QuattroPremier XE, Waters 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$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: PRECURSOR_M/Z 268.06 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004j-0900000000-144e13f8844677546231 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 104 12 12 105 39 39 116 8 8 120 16 16 132 8 8 133 35 35 146 24 24 147 584 584 148 8 8 174 67 67 175 999 999 176 16 16 //