MassBank Record: JP001785



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

ACCESSION: JP001785
RECORD_TITLE: EICOSANOIC 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$NAME: EICOSANOIC ACID HEXYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C26H52O2 CH$EXACT_MASS: 396.39673 CH$SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCC CH$IUPAC: InChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26(27)28-25-23-8-6-4-2/h3-25H2,1-2H3
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: splash10-01ot-2009000000-4c8e25e08ee9a5848590 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 63 5.46 55 65 5.33 53 66 0.39 4 67 1.36 14 71 7.26 73 73 6.41 64 79 1.8 18 81 2.33 23 83 5.12 51 84 13.94 139 85 15.85 159 285 1.27 13 295 3.76 38 311 2.79 28 312 2.65 27 313 79.27 793 314 18.13 181 395 11.66 117 397 99.99 999 398 23.33 233 399 5.05 51 //