ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005476
RECORD_TITLE: METHYL (E)-4-HYDROXY-4-PHENYL-2-BUTENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA

CH$NAME: METHYL (E)-4-HYDROXY-4-PHENYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₃
CH$EXACT_MASS: 192.07864
CH$SMILES: COC(=O)C=CC(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h2-8,10,12H,1H3/b8-7+
CH$LINK: INCHIKEY UHAABQMOQDTLEC-BQYQJAHWSA-N

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03yi-4900000000-f198b022342a9369b951
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
  15 1.9 19
  17 4.7 47
  18 35.8 358
  27 0.12 1
  28 9.9 99
  29 1.7 17
  30 0.4 4
  31 0.14 1
  32 2.2 22
  33 0.3 3
  39 0.6 6
  40 0.06 1
  41 0.7 7
  42 0.7 7
  43 4.9 49
  44 0.09 1
  45 0.9 9
  51 0.6 6
  52 0.6 6
  53 0.09 1
  54 1 10
  55 30 300
  56 1.3 13
  57 0.1 1
  58 1.2 12
  59 3.2 32
  61 1.7 17
  69 0.13 1
  73 1.9 19
  75 1.2 12
  77 26.6 266
  78 0.83 8
  79 19.8 198
  80 1.6 16
  81 0.8 8
  82 0.86 9
  83 2.6 26
  84 0.7 7
  85 2.7 27
  86 0.08 1
  87 54.3 543
  88 3.8 38
  89 2.3 23
  90 0.04 0
  91 8.6 86
  92 2.2 22
  99 2.8 28
  101 0.23 2
  102 2.2 22
  103 15 150
  104 20.6 206
  105 9.06 91
  106 6.4 64
  107 11.8 118
  108 1.7 17
  113 0.12 1
  114 2.5 25
  115 42.5 425
  116 10.4 104
  117 1.14 11
  118 1.7 17
  119 0.4 4
  120 0.5 5
  121 0.43 4
  122 0.4 4
  127 0.4 4
  128 0.5 5
  129 0.3 3
  130 3.4 34
  131 92.3 923
  132 22.9 229
  133 5.57 56
  134 4.9 49
  135 1.1 11
  140 0.4 4
  141 0.08 1
  142 1.6 16
  143 2 20
  144 10.9 109
  145 0.24 2
  146 1.9 19
  147 7.7 77
  148 1.7 17
  149 0.13 1
  159 7.2 72
  160 23.5 235
  161 17.4 174
  162 0.35 4
  163 99.99 999
  164 14.3 143
  165 1.6 16
  166 0.1 1
  167 2.3 23
  168 0.5 5
  174 30.7 307
  175 0.53 5
  176 4.5 45
  177 1.4 14
  178 0.4 4
  190 0.2 2
  191 0.7 7
  192 3.5 35
  193 0.4 4
//