MassBank Record: JP001858



 METHYL 2-METHYLHEXADECANOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001858
RECORD_TITLE: METHYL 2-METHYLHEXADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-METHYLHEXADECANOATE CH$NAME: METHYL ALPHA-METHYLPALMITATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H36O2 CH$EXACT_MASS: 284.27153 CH$SMILES: CCCCCCCCCCCCCCC(C)C(=O)OC CH$IUPAC: InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20-3/h17H,4-16H2,1-3H3
AC$INSTRUMENT: SHIMADZU QP-1000 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-9200000000-798360131a8c372204c5 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 54 1.1 11 55 18.6 186 56 5.3 53 57 19.6 196 59 7.8 78 67 1.5 15 69 10.5 105 70 2.4 24 71 4.9 49 73 1.6 16 74 1 10 83 4.7 47 85 2.1 21 87 3.7 37 88 99.99 999 89 4.3 43 97 2.3 23 98 1.9 19 101 32.8 328 102 2.4 24 115 2 20 129 1 10 143 4.4 44 157 4.1 41 171 1.6 16 185 1.4 14 199 1.5 15 213 1.3 13 227 2.8 28 241 1.6 16 284 3 30 285 0.7 7 //