MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000020

3-METHYLPHENOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000020
RECORD_TITLE: 3-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$NAME: 3-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈O
CH$EXACT_MASS: 108.05751
CH$SMILES: Cc(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
CH$LINK: INCHIKEY RLSSMJSEOOYNOY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6024200

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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$SPLASH: splash10-0a4i-6900000000-f2082b2d78602454887c
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  51 10.17 102
  52 5.37 54
  53 11.55 116
  54 5.21 52
  55 2.97 30
  62 2.64 26
  63 5.48 55
  65 3.6 36
  66 2.08 21
  77 28.04 280
  78 6.84 68
  79 32.64 326
  80 12.23 122
  89 4.79 48
  90 11.68 117
  91 6 60
  106 4.68 47
  107 96.34 963
  108 99.99 999
  109 7.54 75
//