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MassBank Record: JP004669

P-CRESOL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP004669
RECORD_TITLE: P-CRESOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: P-CRESOL
CH$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: CAS 106-44-5
CH$LINK: INCHIKEY IWDCLRJOBJJRNH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021869

AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-4900000000-7d25deb1e39c6ef4866f
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  43 1.18 12
  50 5.3 53
  51 9.55 96
  52 5.38 54
  53 8.37 84
  54 5.15 52
  55 2.92 29
  62 1.68 17
  63 3.81 38
  65 1.94 19
  66 1.13 11
  77 19.06 191
  78 6.2 62
  79 15.62 156
  80 5.91 59
  81 1.34 13
  89 1.9 19
  90 8.64 86
  91 4.14 41
  106 4.14 41
  107 99.99 999
  108 97.63 976
  109 7.77 78
//

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