MassBank Record: JP002166



 14-METHYLPENTADECANOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002166
RECORD_TITLE: 14-METHYLPENTADECANOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 14-METHYLPENTADECANOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H34O2 CH$EXACT_MASS: 270.25588 CH$SMILES: COC(=O)CCCCCCCCCCCCC(C)C CH$IUPAC: InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3
AC$INSTRUMENT: JEOL JMS-01-SG AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-9210000000-cb4ca10245305ebee3ba PK$NUM_PEAK: 59 PK$PEAK: m/z int. rel.int. 42 4.7 47 43 2 20 55 21.6 216 56 0.6 6 57 17.5 175 59 2 20 67 4 40 68 0.47 5 69 17.5 175 71 8.1 81 72 2.7 27 74 99.99 999 75 14.1 141 81 4.7 47 83 14.1 141 87 5.6 56 88 6.7 67 89 2 20 93 3.3 33 97 0.54 5 98 2.7 27 101 10.1 101 102 3.3 33 112 0.33 3 124 3.3 33 126 2.7 27 129 6 60 135 0.4 4 137 3.3 33 138 3.3 33 139 2 20 143 1.55 16 144 3.3 33 147 3.3 33 153 3.3 33 159 0.27 3 166 2.7 27 170 2 20 171 7.4 74 172 0.2 2 177 2.7 27 185 4 40 189 3.3 33 193 0.2 2 197 2 20 199 6.7 67 205 4 40 206 0.2 2 209 2.7 27 213 4.7 47 215 2 20 223 0.2 2 227 12.1 121 228 4 40 239 3.3 33 241 0.31 3 253 2 20 270 8.1 81 271 2 20 //