MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010022

1,3-DIHYDROBENZO(C)THIOPHENE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010022
RECORD_TITLE: 1,3-DIHYDROBENZO(C)THIOPHENE; 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$NAME: 1,3-DIHYDROBENZO(C)THIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈S
CH$EXACT_MASS: 136.03467
CH$SMILES: c(c2)cc(C1)c(c2)CS1
CH$IUPAC: InChI=1S/C8H8S/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2
CH$LINK: INCHIKEY KVRZARWOKBNZMM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30179450

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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$SPLASH: splash10-000i-2900000000-c78fddbfddf9714d038f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  39 4.3 43
  45 2.9 29
  50 2.3 23
  51 0.44 4
  63 4.4 44
  65 2.9 29
  67 10.8 108
  68 0.26 3
  69 1.9 19
  77 2.7 27
  89 4.5 45
  90 0.23 2
  91 19.8 198
  103 1.6 16
  134 8.6 86
  135 99.99 999
  136 70 700
  137 11.6 116
  138 3.3 33
//