ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002148
RECORD_TITLE: PARA-(ALPHA-METHYLBENZYL(5D))PHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: PARA-(ALPHA-METHYLBENZYL(5D))PHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₄O
CH$EXACT_MASS: 198.10447
CH$SMILES: Oc(c2)ccc(c2)C(C)c(c([2H])1)c([2H])c([2H])c([2H])c([2H])1
CH$IUPAC: InChI=1S/C14H14O/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-11,15H,1H3/i2D,3D,4D,5D,6D
CH$LINK: INCHIKEY XHASMJXNUHCHBL-VIQYUKPQSA-N

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-000i-2900000000-155160b2a02a5708d277
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  44 8.1 81
  51 7.2 72
  55 7.2 72
  56 0.72 7
  57 7.2 72
  65 7.5 75
  77 8.1 81
  78 0.72 7
  91 7.2 72
  121 7.2 72
  157 7.2 72
  158 0.72 7
  160 7.2 72
  169 14.7 147
  170 12.5 125
  186 0.72 7
  187 8.8 88
  188 99.99 999
  189 15.7 157
  203 3.61 36
  204 7.5 75
//