MassBank Record: JP003327



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

ACCESSION: JP003327
RECORD_TITLE: ISOOCTYL PALMITATE; 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$NAME: ISOOCTYL PALMITATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C24H48O2 CH$EXACT_MASS: 368.36543 CH$SMILES: CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C CH$IUPAC: InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(25)26-22-19-16-17-20-23(2)3/h23H,4-22H2,1-3H3
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9100000000-b3962716b6fe2f2212d9 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 53 2.6 26 54 66.2 662 55 41.4 414 56 99.99 999 57 6.6 66 58 1.4 14 59 7.2 72 60 0.76 8 67 4.8 48 68 5.8 58 69 47.9 479 70 7.14 71 71 79.5 795 72 3.5 35 73 8.4 84 81 0.43 4 82 5.1 51 83 32.3 323 84 45.8 458 85 1.17 12 95 3.6 36 97 15.3 153 98 15.6 156 99 0.42 4 101 3.9 39 111 3.9 39 112 68.4 684 113 1.71 17 129 3.4 34 157 2.6 26 239 8 80 256 0.92 9 257 19.9 199 258 3.5 35 311 1.7 17 368 0.54 5 369 3.2 32 //