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MassBank Record: JP001781

HEXADECANOIC ACID HEXYL ESTER; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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
CH$LINK: INCHIKEY IOVYZELOJXWQKD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4068373

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
//

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