MassBank Record: JP005420

Home Search Record Index

O-CRESOL; EI-B; MS

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

ACCESSION: JP005420
RECORD_TITLE: O-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

CH$NAME: O-CRESOL
CH$NAME: 2-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O
CH$EXACT_MASS: 108.0575099999999935107553028501570224761962890625
CH$SMILES: Cc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
CH$LINK: COMPTOX DTXSID8021808
CH$LINK: INCHIKEY QWVGKYWNOKOFNN-UHFFFAOYSA-N

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-7900000000-c8eb63e9fe9da99fda0f
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 1.41 14
  27 6.16 62
  29 1.52 15
  31 4.55 46
  38 2.63 26
  39 9.7 97
  40 1.72 17
  45 2.83 28
  50 4.04 40
  51 7.98 80
  52 4.04 40
  53 7.07 71
  53.5 1.82 18
  54 3.84 38
  55 1.72 17
  63 3.54 35
  65 2.22 22
  66 1.41 14
  77 17.98 180
  78 4.34 43
  79 21.21 212
  80 7.88 79
  89 8.48 85
  90 19.49 195
  91 5.66 57
  107 67.37 674
  108 99.99 999
  109 8.89 89
//