MassBank Record: KZ000114



 Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000114
RECORD_TITLE: Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
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_05016_P000058

CH$NAME: Citric acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H8O7 CH$EXACT_MASS: 192.02700 CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) CH$LINK: CAS 77-92-9 CH$LINK: KEGG C00158 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020332
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 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 863.287 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0002-0941000000-f1dfda3e9abc7cfb6b2a PK$NUM_PEAK: 206 PK$PEAK: m/z int. rel.int. 82 4 4 83 9 9 84 12 12 85 15 15 86 5 5 87 17 17 88 9 9 89 12 12 90 3 3 91 3 3 92 3 3 93 22 22 94 3 3 95 21 21 96 5 5 97 25 25 98 6 6 99 69 69 100 9 9 101 24 24 102 7 7 103 34 34 104 6 6 105 11 11 106 2 2 107 2 2 108 1 1 109 1 1 110 1 1 111 35 35 112 4 4 113 14 14 114 5 5 115 85 85 116 35 35 117 62 62 118 9 9 119 19 19 120 2 2 121 3 3 123 1 1 124 1 1 125 2 2 126 2 2 127 5 5 128 2 2 129 136 136 130 17 17 131 106 106 132 21 21 133 180 180 134 30 30 135 24 24 136 2 2 137 1 1 138 1 1 139 18 18 140 3 3 141 32 32 142 6 6 143 69 69 144 10 10 145 10 10 146 4 4 147 999 999 148 165 165 149 187 187 150 26 26 151 16 16 152 2 2 153 1 1 154 1 1 155 4 4 156 3 3 157 24 24 158 4 4 159 7 7 160 1 1 161 4 4 162 2 2 163 21 21 164 3 3 165 2 2 169 12 12 170 3 3 171 15 15 172 4 4 173 7 7 174 2 2 175 4 4 176 1 1 177 3 3 183 152 152 184 26 26 185 40 40 186 5 5 187 3 3 188 1 1 189 13 13 190 10 10 191 15 15 192 3 3 193 4 4 194 1 1 195 1 1 197 1 1 199 1 1 200 1 1 201 9 9 202 1 1 203 2 2 204 6 6 205 7 7 206 2 2 207 19 19 208 4 4 209 3 3 210 1 1 211 129 129 212 24 24 213 28 28 214 4 4 215 25 25 216 5 5 217 41 41 218 9 9 219 7 7 220 1 1 221 69 69 222 18 18 223 10 10 224 2 2 225 1 1 227 1 1 228 1 1 229 25 25 230 8 8 231 38 38 232 8 8 233 5 5 234 1 1 235 1 1 237 1 1 241 2 2 243 4 4 244 4 4 245 5 5 246 2 2 247 1 1 248 1 1 256 5 5 257 100 100 258 25 25 259 23 23 260 5 5 261 2 2 271 1 1 272 19 19 273 404 404 274 113 113 275 57 57 276 11 11 277 2 2 278 1 1 284 2 2 285 15 15 286 4 4 287 5 5 288 1 1 291 1 1 300 2 2 301 5 5 302 3 3 303 11 11 304 8 8 305 16 16 306 7 7 307 3 3 308 1 1 317 1 1 318 1 1 319 5 5 320 2 2 321 1 1 322 1 1 331 4 4 332 3 3 333 5 5 334 2 2 335 2 2 346 20 20 347 70 70 348 23 23 349 12 12 350 4 4 351 1 1 362 13 13 363 13 13 364 2 2 365 1 1 374 24 24 375 49 49 376 19 19 377 9 9 378 2 2 464 13 13 //

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