ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005455
RECORD_TITLE: METHYL (Z)-3-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$NAME: METHYL (Z)-3-HYDROXY-4-PHENYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₃
CH$EXACT_MASS: 192.07864
CH$SMILES: COC(=O)C=C(O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O3/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3/b10-8-
CH$LINK: INCHIKEY MKQJLCBWPQPXAZ-NTMALXAHSA-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$SPLASH: splash10-052f-2900000000-6b4a177111f64bbe6877
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  18 6.3 63
  27 0.9 9
  28 3.2 32
  29 0.13 1
  30 1.4 14
  31 1.3 13
  32 0.9 9
  33 0.07 1
  40 0.4 4
  41 1.4 14
  42 2.2 22
  43 0.12 1
  44 0.4 4
  54 1.3 13
  55 1.2 12
  56 0.08 1
  57 2.7 27
  58 2.2 22
  59 8.2 82
  60 0.05 1
  65 1.5 15
  66 0.7 7
  67 0.4 4
  68 1.53 15
  69 2.2 22
  70 0.5 5
  89 0.4 4
  90 0.2 2
  91 29 290
  92 11.2 112
  93 2.1 21
  100 0.72 7
  101 11 110
  102 1.1 11
  103 7.1 71
  104 0.1 1
  105 2.6 26
  106 0.5 5
  114 0.4 4
  115 2.99 30
  116 8.3 83
  117 7.2 72
  118 13.1 131
  119 0.33 3
  128 0.5 5
  129 2.7 27
  130 38.3 383
  131 2.72 27
  132 10.3 103
  133 2.2 22
  140 0.4 4
  141 0.06 1
  142 2.4 24
  143 4.5 45
  144 3.7 37
  145 0.14 1
  146 0.4 4
  158 3.3 33
  159 99.99 999
  160 5.34 53
  161 4.5 45
  162 1 10
  173 0.5 5
  174 0.55 6
  175 1.2 12
  190 0.9 9
  191 73 730
  192 1.82 18
  193 2.6 26
  194 0.6 6
//