ACCESSION: MSBNK-Kazusa-KZ000090
RECORD_TITLE: trans-Cinnamic acid; GC-EI-TOF; MS; 1 TMS; BP:131
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01732_P000150

CH$NAME: trans-Cinnamic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₉H₈O₂
CH$EXACT_MASS: 148.05243
CH$SMILES: OC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
CH$LINK: CAS 140-10-3
CH$LINK: KEGG C00423
CH$LINK: INCHIKEY WBYWAXJHAXSJNI-VOTSOKGWSA-N
CH$LINK: COMPTOX DTXSID5022489

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1745.6
AC$CHROMATOGRAPHY: RETENTION_TIME 815.99 sec

MS$FOCUSED_ION: BASE_PEAK 131
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0ue9-0910000000-4a7bcdfadd383bf577dc
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  83 3 3
  85 54 54
  86 8 8
  87 11 11
  88 4 4
  89 10 10
  90 4 4
  91 23 23
  92 1 1
  94 2 2
  98 5 5
  99 43 43
  100 6 6
  101 37 37
  102 253 253
  103 953 953
  104 106 106
  109 2 2
  112 1 1
  113 1 1
  114 1 1
  115 12 12
  116 3 3
  117 3 3
  118 4 4
  119 2 2
  121 6 6
  122 2 2
  123 1 1
  129 13 13
  130 3 3
  131 999 999
  132 173 173
  133 27 27
  134 13 13
  135 246 246
  136 65 65
  137 25 25
  138 2 2
  142 20 20
  143 25 25
  144 6 6
  145 403 403
  146 120 120
  147 45 45
  148 61 61
  149 10 10
  150 3 3
  151 2 2
  152 2 2
  153 5 5
  154 2 2
  155 3 3
  156 2 2
  157 1 1
  158 1 1
  160 4 4
  161 112 112
  162 113 113
  163 86 86
  164 9 9
  165 1 1
  175 4 4
  176 23 23
  177 8 8
  178 3 3
  179 1 1
  180 1 1
  181 2 2
  184 1 1
  185 2 2
  186 2 2
  187 1 1
  188 2 2
  189 2 2
  190 1 1
  191 1 1
  192 13 13
  193 6 6
  194 3 3
  195 2 2
  206 102 102
  207 74 74
  208 12 12
  209 1 1
  218 1 1
  219 52 52
  220 335 335
  221 75 75
  222 21 21
  223 3 3
//