ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008158
RECORD_TITLE: 2-PHENYL-2-METHYLPROPIONIC ACID; 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$NAME: 2-PHENYL-2-METHYLPROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: OC(=O)C(C)(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
CH$LINK: INCHIKEY YYEROYLAYAVZNW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90231907
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$SPLASH: splash10-014l-9700000000-dfc0ea83bf35f0df155e
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 2.5 25
  26 1.16 12
  27 6.26 63
  38 1.77 18
  39 14.1 141
  41 22.81 228
  42 1.04 10
  43 7 70
  45 13.66 137
  50 6.82 68
  51 16.08 161
  52 3.86 39
  53 2.04 20
  62 1.9 19
  63 5.41 54
  64 1.01 10
  65 5.14 51
  74 2.5 25
  75 2.27 23
  76 2.37 24
  77 21.39 214
  78 9.63 96
  79 14.83 148
  80 1.02 10
  89 1.89 19
  91 60.68 607
  92 4.79 48
  102 2.8 28
  103 14.74 147
  104 4.64 46
  105 29.74 297
  106 3.05 31
  115 3.54 35
  116 0.87 9
  117 3.75 38
  118 2.5 25
  119 99.99 999
  120 10.42 104
  121 1.33 13
  150 5.66 57
  164 19.94 199
  165 2.35 24
//
