MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000021

4-METHYLPHENOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000021
RECORD_TITLE: 4-METHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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CH$NAME: 4-METHYLPHENOL
CH$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$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-0a4i-5900000000-1d2bdfde621a5af9be73
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  51 9.9 99
  52 5.06 51
  53 10.78 108
  54 4.57 46
  55 2.96 30
  62 2.02 20
  63 3.85 39
  65 2.09 21
  77 24.54 245
  78 5.74 57
  79 20.09 201
  80 9.41 94
  89 3.09 31
  90 7.89 79
  91 3.81 38
  106 4.73 47
  107 99.99 999
  108 82.93 829
  109 6.13 61
//