MassBank Record: KZ000018



 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: KZ000018
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_01448_P000106

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 1853.9 AC$CHROMATOGRAPHY: RETENTION_TIME 859.263 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0002-0941000000-c310fda0e6a19bf6ae40 PK$NUM_PEAK: 213 PK$PEAK: m/z int. rel.int. 82 4 4 83 11 11 84 12 12 85 15 15 86 5 5 87 18 18 88 10 10 89 12 12 90 2 2 91 3 3 92 4 4 93 18 18 94 3 3 95 22 22 96 7 7 97 27 27 98 8 8 99 86 86 100 11 11 101 27 27 102 9 9 103 38 38 104 6 6 105 13 13 106 1 1 107 1 1 108 1 1 109 1 1 110 1 1 111 36 36 112 5 5 113 15 15 114 6 6 115 77 77 116 34 34 117 62 62 118 8 8 119 19 19 120 2 2 121 3 3 123 1 1 124 1 1 125 3 3 126 2 2 127 5 5 128 3 3 129 110 110 130 15 15 131 94 94 132 16 16 133 181 181 134 26 26 135 21 21 136 2 2 137 1 1 138 1 1 139 15 15 140 3 3 141 33 33 142 6 6 143 67 67 144 9 9 145 9 9 146 3 3 147 999 999 148 169 169 149 180 180 150 24 24 151 13 13 152 1 1 153 1 1 154 1 1 155 4 4 156 4 4 157 25 25 158 4 4 159 8 8 160 1 1 161 6 6 162 2 2 163 20 20 164 3 3 165 2 2 169 14 14 170 3 3 171 18 18 172 6 6 173 11 11 174 2 2 175 5 5 176 1 1 177 5 5 178 1 1 179 1 1 183 145 145 184 23 23 185 43 43 186 6 6 187 4 4 188 1 1 189 14 14 190 11 11 191 15 15 192 3 3 193 4 4 194 1 1 195 1 1 197 1 1 199 2 2 200 1 1 201 9 9 202 2 2 203 3 3 204 7 7 205 10 10 206 2 2 207 23 23 208 5 5 209 3 3 211 158 158 212 25 25 213 30 30 214 4 4 215 28 28 216 7 7 217 43 43 218 8 8 219 6 6 220 1 1 221 70 70 222 16 16 223 9 9 224 1 1 225 1 1 228 1 1 229 21 21 230 7 7 231 37 37 232 8 8 233 5 5 234 1 1 235 1 1 241 2 2 243 3 3 244 4 4 245 5 5 246 2 2 247 1 1 256 2 2 257 68 68 258 16 16 259 16 16 260 3 3 261 1 1 271 1 1 272 8 8 273 518 518 274 121 121 275 54 54 276 9 9 277 2 2 285 18 18 286 4 4 287 7 7 288 2 2 289 1 1 291 2 2 292 1 1 293 1 1 301 9 9 302 3 3 303 14 14 304 6 6 305 30 30 306 9 9 307 6 6 308 1 1 309 1 1 318 1 1 319 7 7 320 2 2 321 1 1 331 3 3 332 2 2 333 7 7 334 2 2 335 1 1 346 7 7 347 90 90 348 30 30 349 16 16 350 4 4 351 1 1 362 4 4 363 55 55 364 18 18 365 8 8 366 1 1 373 1 1 374 7 7 375 74 74 376 24 24 377 13 13 378 3 3 379 1 1 421 1 1 422 1 1 437 1 1 464 5 5 465 23 23 466 11 11 467 5 5 468 1 1 //

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