MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010052

1,1,2-TRIS(PHENYLTHIO)ETANE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010052
RECORD_TITLE: 1,1,2-TRIS(PHENYLTHIO)ETANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: 1,1,2-TRIS(PHENYLTHIO)ETANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₈S₃
CH$EXACT_MASS: 354.05706
CH$SMILES: c(c3)ccc(c3)SCC(Sc(c2)cccc2)Sc(c1)cccc1
CH$IUPAC: InChI=1S/C20H18S3/c1-4-10-17(11-5-1)21-16-20(22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1-15,20H,16H2
CH$LINK: INCHIKEY PQXFZZRYLUCAQH-UHFFFAOYSA-N

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AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-00dj-3940000000-f65bda3cb4beca56ceb1
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  45 16.82 168
  55 5.97 60
  91 12.99 130
  98 11.17 112
  122 7.6 76
  123 99.99 999
  135 14.78 148
  245 56.32 563
  354 10.92 109
//