MassBank Record: KZ000251



 Nonadecanoic acid methyl ester; GC-EI-TOF; MS; 0 TMS; BP:87 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000251
RECORD_TITLE: Nonadecanoic acid methyl ester; GC-EI-TOF; MS; 0 TMS; BP:87
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_01625_P000137

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$CHROMATOGRAPHY: RETENTION_INDEX 2352.2 AC$CHROMATOGRAPHY: RETENTION_TIME 1048.81 sec
MS$FOCUSED_ION: BASE_PEAK 87 MS$FOCUSED_ION: DERIVATIVE_TYPE 0 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-000i-9610000000-c1234311168d69a8a44d PK$NUM_PEAK: 100 PK$PEAK: m/z int. rel.int. 82 28 28 83 189 189 84 59 59 85 55 55 86 1 1 87 999 999 88 73 73 91 3 3 92 3 3 93 27 27 94 5 5 95 79 79 96 25 25 97 170 170 98 77 77 99 27 27 100 8 8 101 177 177 102 18 18 103 7 7 106 2 2 107 22 22 108 3 3 109 54 54 110 11 11 111 78 78 112 7 7 113 12 12 114 3 3 115 64 64 116 18 18 117 1 1 118 1 1 119 4 4 121 29 29 122 4 4 123 19 19 124 3 3 125 34 34 127 11 11 128 1 1 129 143 143 130 21 21 131 5 5 133 2 2 134 2 2 135 6 6 137 12 12 138 6 6 139 18 18 140 2 2 141 4 4 143 307 307 144 22 22 145 2 2 149 6 6 151 1 1 152 4 4 153 9 9 157 78 78 158 12 12 159 1 1 161 1 1 163 5 5 164 1 1 167 2 2 171 31 31 175 1 1 177 4 4 179 1 1 180 1 1 181 1 1 183 1 1 185 29 29 186 6 6 196 2 2 198 1 1 199 65 65 213 70 70 214 4 4 215 3 3 227 24 24 231 1 1 238 2 2 241 17 17 242 2 2 247 2 2 254 1 1 255 27 27 256 5 5 269 102 102 270 13 13 278 1 1 281 24 24 282 1 1 283 15 15 284 2 2 311 2 2 312 55 55 313 12 12 //

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