MassBank Record: JP001781



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

ACCESSION: JP001781
RECORD_TITLE: HEXADECANOIC 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$NAME: HEXADECANOIC ACID HEXYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H44O2 CH$EXACT_MASS: 340.33413 CH$SMILES: CCCCCCCCCCCCCCCC(=O)OCCCCCC CH$IUPAC: InChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h3-21H2,1-2H3
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: splash10-0006-9038000000-b4d12b34f2fd581e9a13 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 63 21.43 214 66 1.77 18 67 9.95 100 71 7.24 72 73 34.46 345 79 2.59 26 81 2.51 25 83 5.6 56 85 39.67 397 257 55.39 554 341 99.99 999 342 19.4 194 //