ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005725
RECORD_TITLE: 4-METHOXYCINNAMIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHOXYCINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₃
CH$EXACT_MASS: 178.06299
CH$SMILES: COC1=CC=C(C=C1)/C=C/C(=O)O
CH$IUPAC: InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
CH$LINK: CAS 943-89-5
CH$LINK: INCHIKEY AFDXODALSZRGIH-QPJJXVBHSA-N
CH$LINK: COMPTOX DTXSID1046059

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$SPLASH: splash10-004i-7900000000-6075ede461ba4ee4c7cd
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  15 9.6 96
  26 1.69 17
  27 2.53 25
  37 1.34 13
  38 3.85 39
  39 9.59 96
  40 1.25 13
  45 9.12 91
  49 0.6 6
  50 8.7 87
  51 10.48 105
  52 2.52 25
  53 3.76 38
  61 1.53 15
  62 8.85 89
  63 21.69 217
  64 8.82 88
  65 7.1 71
  66 1.26 13
  67 0.54 5
  74 4.71 47
  75 5.56 56
  76 3.48 35
  77 20.02 200
  78 3.65 37
  79 12.74 127
  80 1.29 13
  86 0.73 7
  87 1.39 14
  88 0.57 6
  89 21.65 217
  90 12.51 125
  91 7.97 80
  92 5.7 57
  93 0.82 8
  94 0.55 6
  101 1.5 15
  102 4.35 44
  103 4.2 42
  104 0.54 5
  105 0.82 8
  107 6.16 62
  108 1.4 14
  109 0.56 6
  117 8.71 87
  118 8.71 87
  119 1.44 14
  120 0.37 4
  121 5.07 51
  122 0.87 9
  124 0.97 10
  125 1.2 12
  132 13.32 133
  133 20.56 206
  134 2.7 27
  135 5.21 52
  136 0.95 10
  137 1.26 13
  145 0.94 9
  146 1.25 13
  147 3.55 36
  148 0.49 5
  149 0.99 10
  150 2.02 20
  152 0.71 7
  160 1.27 13
  161 32.98 330
  162 3.86 39
  163 4.34 43
  164 0.89 9
  176 2.13 21
  177 18.03 180
  178 99.99 999
  179 10.13 101
  180 1.04 10
//