ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003251
RECORD_TITLE: METASYSTOX; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: METASYSTOX
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H15O4PS2
CH$EXACT_MASS: 246.01494
CH$SMILES: CCS(=O)CCSP(=O)(OC)OC
CH$IUPAC: InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3
CH$LINK: INCHIKEY PMCVMORKVPSKHZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8025541
AC$INSTRUMENT: HITACHI RMU-6E
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a73-9700000000-a94e69d7f2da3420e649
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  75 35 350
  77 25 250
  79 40 400
  88 99.99 999
  89 33 330
  91 88 880
  92 18 180
  105 41 410
  106 74 740
  109 50 500
  112 20 200
  122 12 120
  125 17 170
  142 35 350
  143 16 160
  169 6 60
  230 9 90
//
