MassBank Record: JP002155



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

ACCESSION: 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
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 //