ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010446
RECORD_TITLE: TRANS-ORTHO-METHOXYCINNAMIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-ORTHO-METHOXYCINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₃
CH$EXACT_MASS: 178.06299
CH$SMILES: COc(c1)c(ccc1)C=CC(O)=O
CH$IUPAC: InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
CH$LINK: INCHIKEY FEGVSPGUHMGGBO-VOTSOKGWSA-N

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-00ov-9800000000-2cd10a7f3c7aa9c2686c
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  15 25.14 251
  26 3.32 33
  27 7.86 79
  28 1.26 13
  29 7.39 74
  30 1.06 11
  31 1.78 18
  37 2.55 26
  38 7.68 77
  39 21.86 219
  40 2.3 23
  41 2.44 24
  43 3.54 35
  44 1.78 18
  45 20.31 203
  49 1.16 12
  50 11.75 118
  51 21.75 218
  52 4.8 48
  53 6.13 61
  55 3.86 39
  61 2.94 29
  62 9.66 97
  63 26.66 267
  64 7.95 80
  65 15.08 151
  66 2.06 21
  74 6.4 64
  75 8.02 80
  76 4.73 47
  77 27.83 278
  78 10.75 108
  79 11.81 118
  80 1.02 10
  85 2.31 23
  86 1.57 16
  87 1.99 20
  88 1.41 14
  89 24.28 243
  90 16.06 161
  91 65.73 657
  92 6.72 67
  94 7.52 75
  101 2.75 28
  102 5.88 59
  103 17.43 174
  104 4.51 45
  105 15.02 150
  106 2.21 22
  107 4.26 43
  115 2.15 22
  117 1.02 10
  118 41.92 419
  119 23.94 239
  120 2.4 24
  131 22.92 229
  132 10.07 101
  133 4.93 49
  134 1.22 12
  135 1.79 18
  146 8.91 89
  147 79.77 798
  148 8.01 80
  149 1.05 11
  160 1.04 10
  161 8.24 82
  162 1.34 13
  163 2.26 23
  177 2.45 25
  178 99.99 999
  179 11.62 116
  180 1.24 12
//