MassBank Record: WA000009



 Anilofos; 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: WA000009
RECORD_TITLE: Anilofos; 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$NAME: Anilofos CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H19ClNO3PS2 CH$EXACT_MASS: 367.02325 CH$SMILES: CC(C)N(C(=O)CSP(=S)(OC)OC)c(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3 CH$LINK: CAS 64249-01-0
AC$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 368.07 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00fr-0900000000-e0409a7181f1a27e2869 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 61 12 12 125 580 580 128 16 16 138 20 20 143 8 8 157 102 102 166 8 8 168 8 8 171 999 999 172 12 12 184 31 31 199 415 415 208 16 16 226 8 8 242 8 8 293 8 8 //