ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007236
RECORD_TITLE: 3-(4-HYDROXYPHENYL)PROP-2-ENOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-(4-HYDROXYPHENYL)PROP-2-ENOIC ACID
CH$NAME: P-COUMARIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₈O₃
CH$EXACT_MASS: 164.04734
CH$SMILES: OC(=O)C=Cc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
CH$LINK: CAS 7400-08-0
CH$LINK: INCHIKEY NGSWKAQJJWESNS-ZZXKWVIFSA-N
CH$LINK: COMPTOX DTXSID30901076

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-8900000000-3bb023f80c1f54a16adc
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  39 13.6 136
  40 1.6 16
  41 13.6 136
  42 0.32 3
  43 17.6 176
  44 3.2 32
  45 4.8 48
  50 0.32 3
  51 8 80
  52 1.6 16
  53 4.8 48
  55 1.28 13
  56 6.4 64
  57 12.8 128
  58 2.4 24
  59 0.56 6
  60 5.6 56
  61 2.4 24
  62 3.2 32
  63 1.28 13
  64 4 40
  65 17.6 176
  66 2.4 24
  67 0.48 5
  68 4 40
  69 8.8 88
  70 3.2 32
  71 0.64 6
  72 2.4 24
  73 8.8 88
  74 4 40
  75 0.32 3
  76 1.6 16
  77 6.4 64
  78 1.6 16
  79 0.32 3
  81 5.6 56
  82 6.4 64
  83 8.8 88
  84 0.24 2
  85 7.2 72
  86 1.6 16
  87 4 40
  89 0.88 9
  90 4.8 48
  91 27.2 272
  92 2.4 24
  93 0.24 2
  94 4.8 48
  95 4.8 48
  96 4 40
  97 0.4 4
  98 1.6 16
  99 2.4 24
  101 2.4 24
  105 0.16 2
  107 12 120
  108 3.2 32
  109 2.4 24
  110 0.24 2
  111 3.2 32
  112 1.6 16
  113 2.4 24
  114 0.16 2
  115 2.4 24
  117 1.6 16
  118 2.4 24
  119 3.2 32
  120 5.6 56
  121 3.2 32
  122 3.2 32
  123 0.56 6
  125 2.4 24
  127 2.4 24
  129 3.2 32
  130 0.16 2
  131 1.6 16
  135 5.6 56
  136 6.4 64
  137 0.32 3
  139 1.6 16
  141 2.4 24
  143 1.6 16
  145 0.16 2
  146 4 40
  147 44 440
  148 4.8 48
  149 0.56 6
  154 2.4 24
  155 1.6 16
  156 1.6 16
  157 0.24 2
  161 1.6 16
  163 37.6 376
  164 99.99 999
  165 1.04 10
  166 2.4 24
//