MassBank Record: JP004612

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(2E)-6ACETOXY-2-METHYLHEXENAL; EI-B; MS

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

ACCESSION: JP004612
RECORD_TITLE: (2E)-6ACETOXY-2-METHYLHEXENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (2E)-6ACETOXY-2-METHYLHEXENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H14O3
CH$EXACT_MASS: 170.0942900000000008731149137020111083984375
CH$SMILES: O=CC(C)=C([H])CCCOC(C)=O
CH$IUPAC: InChI=1S/C9H14O3/c1-8(7-10)5-3-4-6-12-9(2)11/h5,7H,3-4,6H2,1-2H3/b8-5+
CH$LINK: INCHIKEY KAYNMVNYLZADKJ-VMPITWQZSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-3900000000-b2a5bf3864cabe022ac4
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  18 2.2 22
  42 1.3 13
  43 11.2 112
  66 0.17 2
  67 2.9 29
  69 1.1 11
  81 2 20
  82 5.07 51
  83 1.5 15
  94 1.6 16
  95 14 140
  97 1.09 11
  109 4.7 47
  110 99.99 999
  111 6.8 68
  113 0.5 5
  127 4.4 44
  128 8.8 88
//