MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003251
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
//