MassBank Record: KZ000115



 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: KZ000115
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_P000059

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$CHROMATOGRAPHY: RETENTION_TIME 864.787 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-006t-0952000000-ba3a1a80815f65afd05c PK$NUM_PEAK: 211 PK$PEAK: m/z int. rel.int. 83 3 3 84 4 4 85 3 3 86 2 2 87 4 4 88 4 4 89 2 2 93 1 1 95 14 14 96 3 3 97 15 15 98 5 5 99 45 45 100 4 4 101 15 15 102 4 4 103 21 21 104 3 3 105 9 9 108 1 1 110 1 1 111 31 31 112 3 3 113 8 8 114 3 3 115 51 51 116 20 20 117 45 45 118 4 4 119 15 15 121 2 2 125 1 1 126 1 1 127 3 3 128 1 1 129 48 48 130 7 7 131 58 58 132 7 7 133 119 119 134 16 16 135 18 18 136 2 2 137 2 2 139 16 16 140 1 1 141 35 35 142 8 8 143 83 83 144 10 10 145 8 8 146 3 3 147 999 999 148 176 176 149 144 144 150 24 24 151 10 10 153 1 1 154 1 1 155 3 3 156 2 2 157 21 21 158 3 3 159 7 7 161 7 7 162 2 2 163 18 18 164 3 3 165 3 3 169 12 12 170 2 2 171 16 16 172 4 4 173 10 10 174 1 1 175 5 5 177 4 4 179 1 1 183 112 112 184 17 17 185 31 31 186 6 6 187 2 2 189 11 11 190 8 8 191 12 12 192 3 3 193 3 3 196 1 1 199 1 1 201 7 7 202 2 2 203 2 2 204 7 7 205 11 11 206 3 3 207 17 17 208 3 3 209 1 1 211 124 124 212 22 22 213 24 24 214 5 5 215 18 18 216 8 8 217 28 28 218 5 5 219 4 4 220 2 2 221 57 57 222 10 10 223 7 7 224 2 2 226 1 1 228 1 1 229 8 8 230 5 5 231 17 17 232 6 6 233 3 3 234 1 1 237 1 1 241 1 1 242 1 1 243 2 2 244 3 3 245 3 3 246 1 1 255 1 1 256 1 1 257 43 43 258 11 11 259 12 12 260 3 3 261 2 2 263 1 1 265 1 1 267 1 1 271 2 2 272 7 7 273 629 629 274 124 124 275 62 62 276 8 8 277 2 2 279 1 1 285 23 23 286 6 6 287 8 8 288 1 1 289 2 2 290 1 1 291 2 2 292 1 1 293 2 2 295 1 1 301 10 10 302 3 3 303 15 15 304 7 7 305 32 32 306 7 7 307 7 7 308 1 1 309 1 1 310 1 1 311 1 1 312 1 1 315 1 1 318 2 2 319 7 7 320 1 1 321 2 2 323 1 1 324 1 1 329 1 1 330 1 1 331 4 4 332 2 2 333 10 10 334 3 3 335 2 2 336 1 1 337 1 1 345 1 1 346 3 3 347 170 170 348 48 48 349 31 31 350 4 4 351 1 1 362 2 2 363 144 144 364 47 47 365 23 23 366 5 5 367 1 1 373 1 1 374 7 7 375 37 37 376 9 9 377 6 6 421 1 1 422 1 1 437 1 1 438 1 1 464 5 5 465 71 71 466 24 24 467 7 7 468 2 2 //

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