MassBank Record: KZ000071



 Sebacic acid; GC-EI-TOF; MS; 2 TMS; BP:129 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000071
RECORD_TITLE: Sebacic acid; GC-EI-TOF; MS; 2 TMS; BP:129
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_01663_P000153

CH$NAME: Sebacic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H18O4 CH$EXACT_MASS: 202.12051 CH$SMILES: OC(=O)CCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) CH$LINK: CAS 111-20-6 CH$LINK: KEGG C08277 CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026867
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 1990.8 AC$CHROMATOGRAPHY: RETENTION_TIME 920.663 sec
MS$FOCUSED_ION: BASE_PEAK 129 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00mk-2910000000-944d83241331f8be19a6 PK$NUM_PEAK: 188 PK$PEAK: m/z int. rel.int. 82 56 56 83 320 320 84 88 88 85 120 120 86 88 88 87 40 40 88 41 41 89 78 78 90 15 15 91 106 106 92 28 28 93 412 412 94 54 54 95 294 294 96 75 75 97 470 470 98 121 121 99 113 113 100 17 17 101 76 76 102 16 16 103 45 45 104 8 8 105 100 100 106 14 14 107 274 274 108 27 27 109 38 38 110 59 59 111 68 68 112 32 32 113 18 18 114 7 7 115 47 47 116 236 236 117 862 862 118 93 93 119 130 130 120 46 46 121 350 350 122 41 41 123 35 35 124 41 41 125 356 356 126 32 32 127 11 11 128 11 11 129 999 999 130 144 144 131 245 245 132 99 99 133 148 148 134 24 24 135 19 19 136 4 4 137 77 77 138 240 240 139 82 82 140 9 9 141 17 17 142 9 9 143 99 99 144 14 14 145 101 101 146 18 18 147 504 504 148 130 130 149 676 676 150 99 99 151 62 62 152 7 7 153 5 5 154 1 1 155 32 32 156 48 48 157 63 63 158 27 27 159 61 61 160 10 10 161 6 6 162 9 9 163 8 8 164 3 3 165 12 12 166 186 186 167 58 58 168 7 7 169 21 21 170 36 36 171 45 45 172 11 11 173 49 49 174 10 10 175 4 4 176 1 1 177 5 5 178 1 1 179 5 5 180 2 2 181 12 12 182 4 4 183 34 34 184 7 7 185 155 155 186 26 26 187 15 15 188 3 3 189 20 20 190 8 8 191 10 10 192 2 2 193 2 2 195 7 7 196 2 2 197 28 28 198 6 6 199 50 50 200 13 13 201 7 7 202 25 25 203 32 32 204 267 267 205 66 66 206 25 25 207 4 4 208 1 1 210 1 1 211 11 11 212 2 2 213 73 73 214 29 29 215 470 470 216 83 83 217 251 251 218 54 54 219 22 22 220 3 3 221 1 1 222 1 1 223 30 30 224 6 6 225 3 3 227 1 1 228 59 59 229 13 13 230 4 4 231 11 11 232 2 2 233 1 1 238 4 4 239 13 13 240 3 3 241 5 5 242 1 1 243 1 1 244 1 1 245 3 3 246 1 1 255 3 3 256 4 4 257 14 14 258 3 3 259 14 14 260 3 3 261 1 1 271 1 1 273 4 4 274 2 2 275 1 1 286 1 1 287 36 36 288 11 11 289 4 4 290 1 1 303 1 1 313 5 5 314 5 5 315 41 41 316 14 14 317 5 5 318 1 1 330 35 35 331 435 435 332 120 120 333 45 45 334 8 8 335 1 1 346 1 1 //

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