MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008727

GAMMA-HEPTALACTONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008727
RECORD_TITLE: GAMMA-HEPTALACTONE; 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

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CH$NAME: GAMMA-HEPTALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₂
CH$EXACT_MASS: 128.08373
CH$SMILES: CCCC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3
CH$LINK: INCHIKEY VLSVVMPLPMNWBH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047611

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-000i-9000000000-c224bc120cc60670620f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.5 15
  26 2.81 28
  27 19.98 200
  28 9.24 92
  29 28.18 282
  39 7.89 79
  40 1.2 12
  41 10.87 109
  42 6.17 62
  43 7.57 76
  44 2.56 26
  53 1.42 14
  55 6.89 69
  56 13.85 139
  57 6.27 63
  58 1.03 10
  69 1.72 17
  71 3.44 34
  72 1.04 10
  73 1 10
  84 1.85 19
  85 99.99 999
  86 4.06 41
  100 3.07 31
  110 2.1 21
//