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MassBank Record: JP008734

DELTA-OCTALACTONE; EI-B; MS

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

ACCESSION: JP008734
RECORD_TITLE: DELTA-OCTALACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DELTA-OCTALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O2
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3
CH$LINK: INCHIKEY FYTRVXSHONWYNE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047164

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-006y-9000000000-b4b0181c1887ad4c1088
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 2.76 28
  26 2.82 28
  27 29.52 295
  28 3.32 33
  29 14.32 143
  31 1.58 16
  38 1.72 17
  39 21.87 219
  40 4.41 44
  41 39.55 396
  42 55.89 559
  43 34.58 346
  44 3.73 37
  51 1.52 15
  53 2.91 29
  54 2.77 28
  55 38.29 383
  56 7.63 76
  57 2.23 22
  67 2.26 23
  68 2.24 22
  69 5.16 52
  70 40.58 406
  71 56.37 564
  72 3.12 31
  73 1.2 12
  83 1.28 13
  86 1.57 16
  99 99.99 999
  100 4.96 50
  114 7.27 73
  124 2.73 27
  142 1.69 17
//

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