ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009213
RECORD_TITLE: P-CRESOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: P-CRESOL
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-7900000000-15d473146e11e4b049b2
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  26 2.11 21
  27 9.43 94
  29 1.9 19
  37 1.12 11
  38 2.61 26
  39 11.35 114
  40 1.25 13
  43 1 10
  49 1.01 10
  50 7.75 78
  51 13.48 135
  52 7.31 73
  53 10.14 101
  54 2.8 28
  55 2.59 26
  61 1.06 11
  62 2.1 21
  63 5.48 55
  64 1.1 11
  65 2.04 20
  66 1.04 10
  74 1.24 12
  77 23.45 235
  78 7.15 72
  79 18.25 183
  80 7.55 76
  81 1.77 18
  89 1.98 20
  90 7.7 77
  91 4.29 43
  106 1.07 11
  107 95.08 951
  108 99.99 999
  109 7.52 75
//