MassBank Record: JP001783



 OCTADECANOIC ACID HEXYL ESTER; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001783
RECORD_TITLE: OCTADECANOIC ACID HEXYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: OCTADECANOIC ACID HEXYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C24H48O2 CH$EXACT_MASS: 368.36543 CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCCCC CH$IUPAC: InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25)26-23-21-8-6-4-2/h3-23H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-00kr-3089000000-73eea3d895c1c24e084f PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 61 8.62 86 63 0.91 9 67 0.79 8 69 0.5 5 70 0.25 3 71 3.61 36 73 3.6 36 79 0.37 4 81 1.27 13 83 6.08 61 84 16.62 166 85 10.71 107 97 1.61 16 129 0.85 9 220 19.27 193 223 0.59 6 265 2.13 21 267 6.21 62 268 1.2 12 283 5.82 58 285 90.72 907 286 15.99 160 287 1.69 17 367 12.59 126 368 9.86 99 369 99.99 999 370 27.39 274 371 4.08 41 409 0.66 7 //