MassBank Record: JP001309

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ACETIC ACID HEPTYL ESTER; EI-B; MS

Mass Spectrum
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ACCESSION: JP001309
RECORD_TITLE: ACETIC ACID HEPTYL 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$NAME: ACETIC ACID HEPTYL ESTER
CH$NAME: HEPTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.130680000000012341843103058636188507080078125
CH$SMILES: CCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
CH$LINK: COMPTOX DTXSID9047124
CH$LINK: INCHIKEY ZCZSIDMEHXZRLG-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$SPLASH: splash10-052f-9000000000-853410267495be366ea2
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 3.28 33
  27 8.37 84
  28 3.6 36
  29 12.08 121
  31 1.69 17
  39 5.72 57
  41 26.48 265
  42 18.54 185
  43 99.99 999
  44 3.07 31
  54 3.28 33
  55 29.77 298
  56 46.08 461
  57 13.67 137
  58 3.39 34
  61 21.19 212
  68 4.56 46
  69 19.28 193
  70 35.49 355
  71 2.86 29
  73 6.78 68
  83 3.6 36
  97 1.48 15
  98 9.11 91
  101 1.17 12
  116 1 10
//