MassBank Record: KZ000270



 Stearic acid; GC-EI-TOF; MS; 1 TMS; BP:117 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000270
RECORD_TITLE: Stearic acid; GC-EI-TOF; MS; 1 TMS; BP:117
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_01671_P000119

CH$NAME: Stearic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C18H36O2 CH$EXACT_MASS: 284.27153 CH$SMILES: CCCCCCCCCCCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) CH$LINK: CAS 57-11-4 CH$LINK: KEGG C01530 CH$LINK: INCHIKEY QIQXTHQIDYTFRH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021642
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 2291.7 AC$CHROMATOGRAPHY: RETENTION_TIME 1029.51 sec
MS$FOCUSED_ION: BASE_PEAK 117 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0159-1900000000-9cc966384906cd35537d PK$NUM_PEAK: 137 PK$PEAK: m/z int. rel.int. 82 17 17 83 102 102 84 40 40 85 41 41 86 14 14 87 11 11 88 7 7 89 30 30 90 4 4 91 9 9 92 1 1 93 24 24 94 4 4 95 71 71 96 12 12 97 70 70 98 51 51 99 26 26 100 3 3 101 14 14 102 4 4 103 4 4 105 27 27 106 2 2 107 11 11 108 1 1 109 20 20 110 4 4 111 28 28 112 13 13 113 5 5 114 2 2 115 9 9 116 63 63 117 999 999 118 101 101 119 42 42 120 2 2 121 11 11 122 2 2 123 7 7 124 3 3 125 8 8 126 4 4 127 5 5 128 4 4 129 456 456 130 61 61 131 165 165 132 389 389 133 84 84 134 20 20 135 10 10 136 1 1 137 2 2 138 1 1 139 4 4 140 3 3 141 3 3 142 2 2 143 37 37 144 4 4 145 253 253 146 33 33 147 13 13 148 1 1 149 4 4 151 1 1 153 2 2 154 5 5 155 3 3 157 9 9 158 1 1 159 23 23 160 3 3 161 1 1 163 1 1 167 2 2 168 2 2 169 1 1 171 18 18 172 3 3 173 6 6 174 3 3 181 2 2 185 27 27 186 2 2 187 17 17 188 5 5 189 1 1 195 1 1 199 6 6 200 1 1 201 48 48 202 8 8 203 2 2 210 1 1 213 5 5 214 1 1 215 6 6 216 1 1 223 3 3 227 6 6 228 1 1 229 3 3 230 1 1 241 6 6 242 1 1 243 6 6 244 2 2 255 4 4 256 1 1 257 10 10 258 2 2 269 1 1 271 4 4 272 1 1 283 1 1 285 1 1 297 8 8 298 3 3 299 3 3 300 1 1 311 1 1 313 8 8 314 3 3 315 1 1 327 1 1 340 7 7 341 140 140 342 39 39 343 10 10 344 1 1 355 1 1 356 12 12 357 3 3 358 1 1 //

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