ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008439
RECORD_TITLE: 2-(1,1-DIMETHYLETHYL)-4-METHOXYPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-(1,1-DIMETHYLETHYL)-4-METHOXYPHENOL
CH$NAME: BHA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O2
CH$EXACT_MASS: 180.11503
CH$SMILES: COc(c1)cc(c(O)c1)C(C)(C)C
CH$IUPAC: InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
CH$LINK: INCHIKEY MRBKEAMVRSLQPH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7040788
AC$INSTRUMENT: HITACHI M-80B
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-4900000000-3f285fdccb9fbe4de2d2
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  15 7.19 72
  27 5.41 54
  29 4.3 43
  39 9.88 99
  41 10.65 107
  43 3.5 35
  50 1.58 16
  51 6.98 70
  52 4.65 47
  53 7.04 70
  54 2.23 22
  55 5.22 52
  57 1.58 16
  62 1.19 12
  63 3.99 40
  64 1.19 12
  65 6.59 66
  66 2.14 21
  67 3.19 32
  68 1.04 10
  76 1.26 13
  77 13.55 136
  78 5.83 58
  79 6.12 61
  81 1.67 17
  82 1.58 16
  89 1.44 14
  91 12.85 129
  92 1.53 15
  93 2.11 21
  94 2.38 24
  95 1.27 13
  103 4.12 41
  104 2.13 21
  105 4.16 42
  106 1.26 13
  107 5.71 57
  108 1.83 18
  109 3.77 38
  110 2.06 21
  115 5.46 55
  116 1.92 19
  117 1.25 13
  119 1.13 11
  121 3.52 35
  122 3.52 35
  123 1.81 18
  124 7.59 76
  125 5.05 51
  131 2.2 22
  132 1.75 18
  133 1.5 15
  135 1.76 18
  136 1.16 12
  137 54.06 541
  138 5.09 51
  149 4.4 44
  150 4.77 48
  151 1.19 12
  164 1.17 12
  165 99.99 999
  166 10.73 107
  180 52.57 526
  181 6.49 65
//
