MassBank Record: JP002157



 2,4,6-TRI(ALPHA-METHYLBENZYL(5D))PHENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002157
RECORD_TITLE: 2,4,6-TRI(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$NAME: 2,4,6-TRI(ALPHA-METHYLBENZYL(5D))PHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C30H30O CH$EXACT_MASS: 406.22967 CH$SMILES: Oc(c(C(c(c4[2H])c(c(c([2H])c4[2H])[2H])[2H])C)1)c(C(c(c3[2H])c(c(c([2H])c3[2H])[2H])[2H])C)cc(C(c(c2[2H])c(c(c([2H])c([2H])2)[2H])[2H])C)c1 CH$IUPAC: InChI=1S/C30H30O/c1-21(24-13-7-4-8-14-24)27-19-28(22(2)25-15-9-5-10-16-25)30(31)29(20-27)23(3)26-17-11-6-12-18-26/h4-23,31H,1-3H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D
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$SPLASH: splash10-0c00-0302900000-9756bc26fe6aa47d8c20 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 83 6.6 66 96 6.8 68 108 6.8 68 109 1.22 12 110 42 420 111 7.1 71 154 6.8 68 240 0.74 7 241 8.5 85 311 16.4 164 312 8.3 83 322 0.85 9 323 18.7 187 324 6.6 66 407 99.99 999 408 0.44 4 421 58.6 586 422 5.9 59 //