MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005931

PHENYL SULFIDE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005931
RECORD_TITLE: PHENYL SULFIDE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: PHENYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀S
CH$EXACT_MASS: 186.05032
CH$SMILES: c(c2)ccc(c2)Sc(c1)cccc1
CH$IUPAC: InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
CH$LINK: COMPTOX DTXSID8044383
CH$LINK: INCHIKEY LTYMSROWYAPPGB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8766

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-000i-0900000000-3d5bc1f7311e35d4b95e
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  77 4.54 45
  78 0.83 8
  108 1.03 10
  109 7.83 78
  110 1.27 13
  183 1.92 19
  184 22.96 230
  185 52.52 525
  186 99.99 999
  187 22.93 229
  188 6.77 68
  189 0.97 10
//