MassBank Record: KZ000230



 DL-Dihydrolipoic acid; GC-EI-TOF; MS; 3 TMS; BP:94 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000230
RECORD_TITLE: DL-Dihydrolipoic acid; GC-EI-TOF; MS; 3 TMS; BP:94
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_01423_P000180

CH$NAME: Dihydrolipoic acid CH$NAME: DL-Dihydrolipoic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C8H16O2S2 CH$EXACT_MASS: 208.05917 CH$SMILES: SCCC(S)CCCCC(O)=O CH$IUPAC: InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10) CH$LINK: CAS 462-20-4 CH$LINK: KEGG C02147 CH$LINK: INCHIKEY IZFHEQBZOYJLPK-UHFFFAOYSA-N
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 2367.6 AC$CHROMATOGRAPHY: RETENTION_TIME 1059.81 sec
MS$FOCUSED_ION: BASE_PEAK 94 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0007-5920000000-99648df42c67f7327a1d PK$NUM_PEAK: 200 PK$PEAK: m/z int. rel.int. 82 35 35 83 44 44 84 18 18 85 73 73 86 22 22 87 108 108 88 21 21 89 40 40 90 76 76 91 328 328 92 48 48 93 140 140 94 999 999 95 757 757 96 70 70 97 73 73 98 19 19 99 52 52 100 16 16 101 63 63 102 11 11 103 32 32 104 77 77 105 166 166 106 38 38 107 26 26 108 7 7 109 64 64 110 23 23 111 47 47 112 78 78 113 243 243 114 39 39 115 53 53 116 137 137 117 366 366 118 41 41 119 180 180 120 22 22 121 36 36 122 231 231 123 251 251 124 27 27 125 22 22 126 12 12 127 27 27 128 24 24 129 229 229 130 37 37 131 62 62 132 72 72 133 66 66 134 13 13 135 18 18 136 5 5 137 37 37 138 22 22 139 157 157 140 20 20 141 19 19 142 25 25 143 22 22 144 10 10 145 115 115 146 21 21 147 427 427 148 70 70 149 99 99 150 14 14 151 23 23 152 7 7 153 21 21 154 5 5 155 65 65 156 38 38 157 48 48 158 13 13 159 21 21 160 52 52 161 22 22 162 15 15 163 136 136 164 23 23 165 45 45 166 7 7 167 27 27 168 103 103 169 42 42 170 13 13 171 17 17 172 6 6 173 24 24 174 7 7 175 4 4 176 2 2 177 20 20 178 7 7 179 22 22 180 5 5 181 16 16 182 4 4 183 28 28 184 11 11 185 37 37 186 56 56 187 34 34 188 10 10 189 26 26 190 7 7 191 4 4 192 1 1 193 3 3 194 3 3 195 31 31 196 14 14 197 102 102 198 19 19 199 31 31 200 14 14 201 25 25 202 6 6 203 7 7 204 164 164 205 38 38 206 15 15 207 7 7 208 1 1 209 1 1 210 13 13 211 5 5 212 416 416 213 174 174 214 39 39 215 19 19 216 3 3 217 81 81 218 22 22 219 9 9 220 2 2 221 1 1 222 2 2 223 1 1 227 6 6 228 30 30 229 19 19 230 19 19 231 40 40 232 8 8 233 4 4 234 1 1 235 1 1 236 2 2 243 8 8 244 2 2 245 3 3 246 1 1 247 1 1 257 3 3 258 1 1 259 4 4 260 1 1 261 1 1 269 1 1 270 1 1 271 9 9 272 3 3 273 1 1 275 1 1 277 1 1 284 3 3 285 125 125 286 45 45 287 17 17 288 4 4 289 1 1 302 5 5 303 106 106 304 28 28 305 19 19 306 4 4 307 1 1 317 1 1 318 10 10 319 40 40 320 12 12 321 6 6 322 1 1 391 2 2 392 1 1 408 3 3 409 17 17 410 7 7 411 4 4 412 1 1 423 13 13 424 74 74 425 30 30 426 19 19 427 5 5 428 2 2 //

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