MassBank Record: JP002180



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

ACCESSION: JP002180
RECORD_TITLE: 16-METHYLHEPTADECANOIC 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$NAME: 16-METHYLHEPTADECANOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H38O2 CH$EXACT_MASS: 298.28718 CH$SMILES: COC(=O)CCCCCCCCCCCCCCC(C)C CH$IUPAC: InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21-3/h18H,4-17H2,1-3H3
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$SPLASH: splash10-00dr-9200000000-b5765f5af3633a9b717c PK$NUM_PEAK: 62 PK$PEAK: m/z int. rel.int. 44 7.2 72 55 10.3 103 56 19.3 193 59 0.45 5 67 1.8 18 68 1.8 18 69 14.4 144 70 0.22 2 71 6.3 63 74 99.99 999 75 18 180 81 0.36 4 82 2.2 22 83 10.8 108 84 3.6 36 85 0.27 3 87 53.1 531 88 4 40 93 1.8 18 95 0.36 4 97 7.6 76 98 3.6 36 100 2.2 22 101 0.67 7 102 2.7 27 104 1.3 13 106 2.2 22 108 0.22 2 109 2.2 22 111 3.6 36 112 1.3 13 115 0.18 2 120 2.7 27 125 1.8 18 129 6.3 63 130 0.13 1 141 1.8 18 143 16.2 162 144 3.1 31 150 0.13 1 157 3.6 36 171 2.2 22 172 1.3 13 180 0.13 1 184 1.8 18 185 2.2 22 199 8.1 81 200 0.22 2 204 1.3 13 213 1.8 18 225 1.3 13 235 0.13 1 242 1.3 13 243 1.3 13 249 1.3 13 255 1.57 16 256 2.7 27 262 2.2 22 267 1.8 18 269 0.18 2 298 5.8 58 299 2.2 22 //