MassBank Record: KZ000253



 Nonadecanoic acid methyl ester; GC-EI-TOF; MS; 0 TMS; BP:74 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000253
RECORD_TITLE: Nonadecanoic acid methyl ester; GC-EI-TOF; MS; 0 TMS; BP:74
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_04544_P000107

CH$NAME: Nonadecanoic acid methyl ester CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C20H40O2 CH$EXACT_MASS: 312.30283 CH$SMILES: CCCCCCCCCCCCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3 CH$LINK: CAS 1731-94-8 CH$LINK: INCHIKEY BDXAHSJUDUZLDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40169524
AC$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 2122.92 sec
MS$FOCUSED_ION: BASE_PEAK 74 MS$FOCUSED_ION: DERIVATIVE_TYPE 0 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-059f-9100000000-924699727e7fc40d182d PK$NUM_PEAK: 144 PK$PEAK: m/z int. rel.int. 37 1 1 38 3 3 39 44 44 40 11 11 41 337 337 42 71 71 43 436 436 44 27 27 45 24 24 50 2 2 51 5 5 52 2 2 53 44 44 54 37 37 55 385 385 56 100 100 57 256 256 58 14 14 59 67 67 60 5 5 61 3 3 65 6 6 66 3 3 67 37 37 68 26 26 69 167 167 70 42 42 71 93 93 72 9 9 73 23 23 74 999 999 75 288 288 76 11 11 77 5 5 78 2 2 79 16 16 80 6 6 81 68 68 82 26 26 83 170 170 84 45 45 85 63 63 86 5 5 87 814 814 88 77 77 89 6 6 91 4 4 92 1 1 93 19 19 94 4 4 95 53 53 96 21 21 97 120 120 98 40 40 99 16 16 100 5 5 101 110 110 102 13 13 103 1 1 105 1 1 107 13 13 108 2 2 109 23 23 110 7 7 111 55 55 112 10 10 113 9 9 114 2 2 115 32 32 116 17 17 117 1 1 121 14 14 122 2 2 123 13 13 124 4 4 125 19 19 126 4 4 127 4 4 128 1 1 129 87 87 130 26 26 131 2 2 135 10 10 136 1 1 137 6 6 138 3 3 139 11 11 140 2 2 141 2 2 143 241 241 144 27 27 145 2 2 149 6 6 150 1 1 151 2 2 152 1 1 153 4 4 154 1 1 155 1 1 157 50 50 158 8 8 163 3 3 165 1 1 167 3 3 171 33 33 172 7 7 177 1 1 181 1 1 185 39 39 186 8 8 191 1 1 195 1 1 199 57 57 200 9 9 209 1 1 210 1 1 213 41 41 214 7 7 215 1 1 226 1 1 227 21 21 228 3 3 238 1 1 240 1 1 241 11 11 242 3 3 254 1 1 255 18 18 256 4 4 257 1 1 261 1 1 268 4 4 269 45 45 270 10 10 271 2 2 280 2 2 281 14 14 282 3 3 283 7 7 284 3 3 311 10 10 312 81 81 313 17 17 314 1 1 //

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