ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002155
RECORD_TITLE: 2,6-DI(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$NAME: 2,6-DI(ALPHA-METHYLBENZYL(5D))PHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H22O
CH$EXACT_MASS: 302.16707
CH$SMILES: [2H]c(c([2H])3)c([2H])c([2H])c(c([2H])3)C(C)c(c2)c(O)c(cc2)C(C)c(c([2H])1)c([2H])c([2H])c([2H])c([2H])1
CH$IUPAC: InChI=1S/C22H22O/c1-16(18-10-5-3-6-11-18)20-14-9-15-21(22(20)23)17(2)19-12-7-4-8-13-19/h3-17,23H,1-2H3/i3D,4D,5D,6D,7D,8D,10D,11D,12D,13D
CH$LINK: INCHIKEY NYPMHOYLEBBBGY-ZKZWDRQZSA-N
AC$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: splash10-03dj-0293000000-0b1adcba6816eec8b121
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  96 9 90
  108 6.4 64
  109 9.6 96
  110 2.07 21
  169 11.6 116
  170 10.4 104
  188 33.9 339
  189 0.83 8
  202 11.2 112
  213 14.6 146
  214 43 430
  215 1.27 13
  227 9.5 95
  228 9.1 91
  229 13.3 133
  296 1.16 12
  297 99.99 999
  298 25.9 259
  312 59.2 592
  313 19.5 195
//
