MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001322

PARA-CRESOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001322
RECORD_TITLE: PARA-CRESOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: PARA-CRESOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈O
CH$EXACT_MASS: 108.05751
CH$SMILES: Cc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
CH$LINK: INCHIKEY IWDCLRJOBJJRNH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021869

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4i-5900000000-b76093f53701327ab25f
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 5.72 57
  38 1.91 19
  39 8.51 85
  41 1.02 10
  50 5.04 50
  51 8.86 89
  52 4.09 41
  53 8.24 82
  54 3.68 37
  55 2.38 24
  62 1.29 13
  63 3.41 34
  65 2.04 20
  77 20.78 208
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  81 1.23 12
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  91 3.88 39
  107 99.99 999
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//