ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007059
RECORD_TITLE: P-CRESYL FORMATE; 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$NAME: P-CRESYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.05243
CH$SMILES: O=COc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H8O2/c1-7-2-4-8(5-3-7)10-6-9/h2-6H,1H3
CH$LINK: INCHIKEY NEIANUMOAXBNRT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3062025
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$SPLASH: splash10-0a4i-8900000000-e9466d9d0c9014bf2c19
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  26 2.22 22
  27 11.78 118
  29 17.74 177
  37 1.1 11
  38 2.59 26
  39 14.23 142
  40 1.16 12
  41 1.14 11
  49 1.03 10
  50 10.42 104
  51 18.07 181
  52 10.27 103
  53 11.37 114
  55 2.14 21
  61 1.16 12
  62 2.69 27
  63 7.19 72
  64 1.61 16
  65 5.81 58
  74 1.56 16
  77 29.59 296
  78 9.8 98
  79 21.15 212
  80 7.39 74
  81 1.33 13
  89 2.36 24
  90 8.63 86
  91 5.82 58
  106 1.06 11
  107 99.99 999
  108 85.05 851
  109 6.89 69
  136 34.51 345
  137 2.47 25
//
