MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010738
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010738
RECORD_TITLE: TOLCHLOPHOS-METHYL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: TOLCHLOPHOS-METHYL
CH$NAME: O-2,6-DICHLORO-PARA-TOLYL O,O-DIMETHYL PHOSPHOROTHIOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11Cl2O3PS
CH$EXACT_MASS: 299.95436
CH$SMILES: Cc(c1)cc(Cl)c(c(Cl)1)OP(=S)(OC)OC
CH$IUPAC: InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3
CH$LINK: INCHIKEY
OBZIQQJJIKNWNO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0034776
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-0190000000-507109e5115c45eff0d5
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
47 1.74 17
79 3.77 38
93 7.38 74
109 4.04 40
125 19.41 194
173 1.49 15
250 6.08 61
252 2.37 24
265 99.99 999
266 11.11 111
267 37.82 378
268 3.99 40
269 2.29 23
300 0.15 2
//
system version 2.2.8-SNAPSHOT