MassBank Record: KZ000015



 Anthranilic acid; GC-EI-TOF; MS; 2 TMS; BP:266 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000015
RECORD_TITLE: Anthranilic acid; GC-EI-TOF; MS; 2 TMS; BP:266
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_01437_P000059

CH$NAME: Anthranilic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C7H7NO2 CH$EXACT_MASS: 137.04768 CH$SMILES: OC(=O)c(c1)c(N)ccc1 CH$IUPAC: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) CH$LINK: CAS 118-92-3 CH$LINK: KEGG C00108 CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094
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 1764.0 AC$CHROMATOGRAPHY: RETENTION_TIME 820.762 sec
MS$FOCUSED_ION: BASE_PEAK 266 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-014i-1950000000-5595652a2e8f93679437 PK$NUM_PEAK: 167 PK$PEAK: m/z int. rel.int. 82 5 5 83 14 14 84 26 26 85 11 11 86 13 13 87 19 19 88 9 9 89 50 50 90 41 41 91 227 227 92 183 183 93 42 42 94 14 14 95 19 19 96 11 11 97 8 8 98 5 5 99 3 3 100 6 6 101 9 9 102 23 23 103 40 40 104 32 32 105 68 68 106 43 43 107 17 17 108 9 9 109 6 6 110 4 4 111 4 4 112 1 1 113 3 3 114 2 2 115 37 37 116 24 24 117 57 57 118 285 285 119 127 127 120 76 76 121 37 37 122 13 13 123 11 11 124 3 3 125 2 2 126 11 11 127 2 2 128 4 4 129 4 4 130 26 26 131 53 53 132 121 121 133 241 241 134 457 457 135 95 95 136 32 32 137 7 7 138 2 2 139 1 1 140 1 1 141 1 1 142 1 1 143 3 3 144 5 5 145 11 11 146 36 36 147 164 164 148 113 113 149 236 236 150 92 92 151 28 28 152 9 9 153 1 1 154 1 1 155 1 1 156 4 4 157 2 2 158 9 9 159 4 4 160 15 15 161 5 5 162 19 19 163 8 8 164 15 15 165 6 6 166 2 2 167 1 1 170 1 1 172 4 4 173 1 1 174 64 64 175 12 12 176 63 63 177 11 11 178 106 106 179 24 24 180 13 13 181 4 4 182 1 1 183 1 1 184 1 1 186 1 1 188 2 2 189 1 1 190 8 8 191 7 7 192 123 123 193 57 57 194 28 28 195 6 6 196 2 2 202 4 4 203 1 1 204 6 6 205 3 3 206 6 6 207 5 5 208 88 88 209 24 24 210 35 35 211 8 8 212 3 3 213 1 1 214 1 1 215 1 1 216 1 1 217 1 1 218 2 2 219 1 1 220 7 7 221 2 2 222 8 8 223 2 2 224 8 8 225 3 3 226 1 1 230 1 1 231 2 2 232 104 104 233 37 37 234 17 17 235 4 4 236 2 2 237 1 1 238 1 1 239 1 1 240 1 1 241 1 1 246 1 1 247 1 1 248 11 11 249 7 7 250 14 14 251 5 5 252 2 2 262 1 1 263 1 1 264 15 15 265 20 20 266 999 999 267 248 248 268 98 98 269 16 16 270 3 3 280 2 2 281 52 52 282 13 13 283 5 5 //

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