MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007780

2-PROPIONYLTHIOPHENE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007780
RECORD_TITLE: 2-PROPIONYLTHIOPHENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 2-PROPIONYLTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈OS
CH$EXACT_MASS: 140.02959
CH$SMILES: CCC(=O)c(c1)scc1
CH$IUPAC: InChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
CH$LINK: INCHIKEY MFPZQZZWAMAHOY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70159933

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-03di-6900000000-687b74b54553e39ce68b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 3.61 36
  28 2.16 22
  29 22.74 227
  39 57.53 575
  40 1.72 17
  45 4.32 43
  57 10.42 104
  58 2.88 29
  83 26.68 267
  84 3.04 30
  85 1.68 17
  110 1.04 10
  111 99.99 999
  112 21.82 218
  113 18.73 187
  114 1.01 10
  139 1 10
  140 47.42 474
  141 7.42 74
  142 4.58 46
//