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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008736

DELTA-DECALACTONE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008736
RECORD_TITLE: DELTA-DECALACTONE; 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$NAME: DELTA-DECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCCCC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY GHBSPIPJMLAMEP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0044496

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$SPLASH: splash10-006y-9000000000-ac2a38db48be894bcefb
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  15 1.29 13
  26 1.29 13
  27 23.44 234
  28 3.99 40
  29 19.03 190
  39 15.81 158
  40 3.05 31
  41 36.84 368
  42 37.32 373
  43 31.15 312
  44 2.69 27
  53 2.92 29
  54 2.77 28
  55 33.78 338
  56 15.08 151
  57 3.92 39
  58 1.03 10
  60 1.67 17
  67 1.9 19
  68 5.4 54
  69 8.68 87
  70 29.78 298
  71 41.07 411
  72 2.3 23
  73 1.22 12
  81 1.58 16
  82 1.55 16
  83 2.82 28
  84 3.37 34
  86 2.41 24
  96 2.45 25
  97 2.64 26
  98 2.12 21
  99 99.99 999
  108 1.97 20
  110 1.92 19
  111 1.11 11
  114 11.05 111
  115 1.19 12
  134 1.85 19
  152 2.98 30
//

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