MassBank Record: JP002661



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

ACCESSION: JP002661
RECORD_TITLE: METHYL OCTADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL OCTADECANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H38O2 CH$EXACT_MASS: 298.28718 CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$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$SPLASH: splash10-000i-9140000000-9c8fe8a8792848c128b9 PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 43 1.3 13 55 6.3 63 56 1.3 13 57 0.55 6 59 2.3 23 67 1.8 18 68 1 10 69 1.06 11 70 1.8 18 71 5.7 57 73 1.5 15 74 9.51 95 75 18.7 187 82 1.5 15 83 10.4 104 84 4.5 45 85 0.44 4 87 99.99 999 88 0.83 8 95 3.5 35 96 1.7 17 97 11.2 112 98 0.57 6 99 1.6 16 101 10.7 107 109 2.6 26 110 1.1 11 111 6.5 65 112 0.18 2 113 1 10 115 5.2 52 116 2.3 23 121 0.16 2 123 1.8 18 137 1 10 144 5.2 52 158 1 10 186 2.3 23 200 3.5 35 213 9 90 214 0.12 1 241 6.2 62 242 1.3 13 255 32.8 328 256 0.61 6 269 7.1 71 270 1.4 14 298 30.9 309 299 0.67 7 300 0.6 6 //