MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007785

2-METHYL-5-ACETYLTHIOPHENE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007785
RECORD_TITLE: 2-METHYL-5-ACETYLTHIOPHENE; 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$NAME: 2-METHYL-5-ACETYLTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈OS
CH$EXACT_MASS: 140.02959
CH$SMILES: CC(=O)c(c1)sc(C)c1
CH$IUPAC: InChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
CH$LINK: INCHIKEY YOSDTJYMDAEEAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10159932

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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$SPLASH: splash10-004l-6900000000-4c66752fc8804d643e45
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  39 1.01 10
  43 20.68 207
  44 1.06 11
  45 13.82 138
  53 71.59 716
  54 4.25 43
  59 4.92 49
  69 1.86 19
  71 3.08 31
  75 1.72 17
  96 2.18 22
  97 45.32 453
  98 4.16 42
  99 1.94 19
  111 1.89 19
  112 4.46 45
  125 99.99 999
  126 26.73 267
  127 26.8 268
  140 77.38 774
  141 17.64 176
  142 10.59 106
//