MassBank Record: JP001308

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ACETIC ACID HEXYL ESTER; EI-B; MS

Mass Spectrum
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ACCESSION: JP001308
RECORD_TITLE: ACETIC ACID HEXYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: HEXYL ACETATE
CH$NAME: ACETIC ACID HEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11502999999999019564711488783359527587890625
CH$SMILES: CCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
CH$LINK: COMPTOX DTXSID6022006
CH$LINK: INCHIKEY AOGQPLXWSUTHQB-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-9000000000-a501dc38f24dd902d772
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 3.69 37
  27 7.13 71
  28 2.77 28
  29 7.38 74
  31 1 10
  39 4.86 49
  40 1.11 11
  41 17.09 171
  42 18.99 190
  43 99.99 999
  44 2.77 28
  54 1.6 16
  55 23.6 236
  56 51.51 515
  57 3.63 36
  58 3.32 33
  61 22.13 221
  69 16.59 166
  70 1.17 12
  71 1.29 13
  73 8.97 90
  83 2.77 28
  84 18.44 184
  85 1.72 17
  101 1.23 12
//