ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002295
RECORD_TITLE: 3,5-DI-TERT-BUTYLBENZOICACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 3,5-DI-TERT-BUTYLBENZOICACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O2
CH$EXACT_MASS: 234.16198
CH$SMILES: OC(=O)c(c1)cc(cc1C(C)(C)C)C(C)(C)C
CH$IUPAC: InChI=1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)
CH$LINK: INCHIKEY NCTSLPBQVXUAHR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20167341
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-014i-7290000000-65b93c0a785c5a5fe6d8
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  40 10.25 103
  43 2.78 28
  44 25.02 250
  45 1.15 12
  51 1.91 19
  53 1.12 11
  55 3.01 30
  56 2.02 20
  57 35.36 354
  58 2.43 24
  64 1.37 14
  65 1.38 14
  69 3.4 34
  73 1.17 12
  77 2.14 21
  78 2.79 28
  79 2.7 27
  87 2.01 20
  88 3.92 39
  91 5.34 53
  102 3.96 40
  103 1.03 10
  105 1.85 19
  115 2.61 26
  116 1.03 10
  117 1.9 19
  119 2.02 20
  128 1.8 18
  129 1.4 14
  131 2.01 20
  135 1.32 13
  145 1.37 14
  163 2.38 24
  175 1.11 11
  189 2.19 22
  191 7.2 72
  192 1.15 12
  203 1.21 12
  217 1.3 13
  219 99.99 999
  220 16.88 169
  221 5 50
  234 12.88 129
  235 2.39 24
//
