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

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

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$SPLASH: splash10-0a4i-5900000000-b76093f53701327ab25f
PK$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
  78 4.5 45
  79 16.35 164
  80 6.74 67
  81 1.23 12
  89 1.57 16
  90 8.11 81
  91 3.88 39
  107 99.99 999
  108 87.6 876
  109 6.06 61
//