MassBank Record: KZ000036



 Indoleacetic acid; GC-EI-TOF; MS; 2 TMS; BP:202 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000036
RECORD_TITLE: Indoleacetic acid; GC-EI-TOF; MS; 2 TMS; BP:202
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_01523_P000128

CH$NAME: Indole-3-acetic acid CH$NAME: Indoleacetic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H9NO2 CH$EXACT_MASS: 175.06333 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)O CH$IUPAC: InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) CH$LINK: CAS 87-51-4 CH$LINK: KEGG C00954 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 2243.9 AC$CHROMATOGRAPHY: RETENTION_TIME 1016.44 sec
MS$FOCUSED_ION: BASE_PEAK 202 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udi-0391000000-7581f14fe5be5b2b2954 PK$NUM_PEAK: 100 PK$PEAK: m/z int. rel.int. 82 1 1 83 3 3 84 5 5 85 1 1 87 2 2 89 5 5 90 2 2 91 4 4 92 3 3 93 5 5 99 1 1 100 2 2 101 14 14 102 41 41 103 17 17 104 4 4 105 7 7 107 1 1 108 1 1 113 1 1 115 11 11 117 11 11 118 2 2 119 6 6 121 1 1 127 1 1 128 18 18 129 30 30 130 37 37 131 14 14 132 4 4 133 4 4 134 1 1 140 3 3 141 2 2 142 2 2 143 8 8 144 7 7 145 35 35 146 9 9 147 45 45 148 6 6 149 3 3 152 6 6 154 1 1 155 1 1 156 14 14 157 4 4 158 1 1 159 3 3 160 12 12 161 4 4 162 2 2 168 1 1 169 1 1 170 15 15 171 4 4 172 14 14 173 1 1 174 3 3 175 1 1 183 1 1 184 6 6 185 3 3 186 42 42 187 20 20 188 5 5 189 1 1 193 1 1 198 2 2 199 3 3 200 51 51 201 15 15 202 999 999 203 160 160 204 36 36 216 1 1 217 1 1 218 1 1 229 2 2 230 3 3 231 2 2 244 1 1 246 1 1 247 1 1 249 1 1 260 2 2 275 3 3 276 19 19 277 10 10 278 1 1 303 1 1 304 28 28 305 4 4 306 1 1 318 7 7 319 92 92 320 19 19 321 4 4 322 1 1 //

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