MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003251

METASYSTOX; EI-B; MS

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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

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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

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a73-9700000000-a94e69d7f2da3420e649
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
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//