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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008735

DELTA-NONALACTONE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008735
RECORD_TITLE: DELTA-NONALACTONE; 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$NAME: DELTA-NONALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCCC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3
CH$LINK: INCHIKEY PXRBWNLUQYZAAX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70863149

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$SPLASH: splash10-006y-9000000000-726e12b176464d011270
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 2.31 23
  17 1.15 12
  26 2.36 24
  27 24.55 246
  28 1.17 12
  29 21.37 214
  39 14.95 150
  40 3.29 33
  41 38.72 387
  42 41.72 417
  43 28.78 288
  44 3.58 36
  53 2.99 30
  54 4.04 40
  55 30.82 308
  56 14.49 145
  57 7.05 71
  58 1.63 16
  60 2.08 21
  67 2.17 22
  68 3.96 40
  69 8.6 86
  70 29.46 295
  71 48.03 480
  72 2.85 29
  81 1.42 14
  83 2.69 27
  84 3.95 40
  85 3.44 34
  86 3.14 31
  95 1.13 11
  96 3.05 31
  97 1.54 15
  99 99.99 999
  100 5.74 57
  101 1.15 12
  113 1.23 12
  114 10.72 107
  115 1.24 12
  127 1.15 12
  128 1.07 11
  138 4.61 46
  156 1.85 19
//

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