ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010569
RECORD_TITLE: 3,5-DI-TERT-BUTYL-4-HYDROXYBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 3,5-DI-TERT-BUTYL-4-HYDROXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₂O₂
CH$EXACT_MASS: 234.16198
CH$SMILES: O=Cc(c1)cc(C(C)(C)C)c(O)c1C(C)(C)C
CH$IUPAC: InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3
CH$LINK: CAS 1620-98-0
CH$LINK: INCHIKEY DOZRDZLFLOODMB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7057658

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-014i-5390000000-70d0b568a8a86316d7ec
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  15 1.95 20
  27 3.89 39
  28 1.01 10
  29 9.37 94
  39 5.72 57
  41 13.03 130
  43 1.79 18
  51 2.76 28
  53 2.57 26
  55 4.9 49
  57 18.67 187
  63 1.75 18
  65 2.53 25
  74 1.01 10
  77 4.82 48
  78 1.75 18
  79 2.33 23
  87 1.44 14
  88 3.31 33
  89 1.01 10
  91 8.83 88
  102 2.1 21
  103 1.79 18
  105 2.88 29
  107 1.87 19
  115 6.07 61
  116 2.41 24
  117 2.88 29
  119 2.14 21
  127 1.13 11
  128 1.38 14
  129 2.37 24
  131 3.7 37
  133 1.24 12
  141 1.63 16
  142 1.13 11
  145 1.28 13
  147 1.95 20
  159 5.02 50
  161 1.52 15
  163 1.05 11
  175 4.75 48
  189 1.09 11
  191 13.73 137
  192 1.79 18
  203 3.85 39
  205 1.01 10
  219 99.99 999
  220 15.48 155
  221 1.52 15
  234 31 310
  235 6.26 63
//