MassBank Record: KZ000090



 trans-Cinnamic acid; GC-EI-TOF; MS; 1 TMS; BP:131 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000090
RECORD_TITLE: trans-Cinnamic acid; GC-EI-TOF; MS; 1 TMS; BP:131
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, 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 //

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