ACCESSION: MSBNK-EPA-ENTACT_AGILENT000493
RECORD_TITLE: epsilon-Decalactone; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: epsilon-Decalactone
CH$NAME: DTXSID8047551
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.1306798188
CH$SMILES: CCCCC1CCCCC(=O)O1
CH$IUPAC: InChI=1S/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3
CH$LINK: CAS 5579-78-2
CH$LINK: INCHIKEY YKVIWISPFDZYOW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:62583

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 171.1379562705
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-052f-9000000000-8d6db519ec247e032aeb
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  39.022927 14.614099 145
  41.038577 99.999998 999
  41.059706 1.61555 16
  43.017841 11.971149 119
  43.054227 14.704501 146
  45.033491 10.966853 109
  51.022927 1.485642 14
  53.038577 3.37699 33
  55.017841 2.501278 24
  55.054227 79.882282 798
  57.069877 7.592844 75
  58.041316 4.493774 44
  65.038577 1.88073 18
  67.054227 4.249316 42
  69.069877 10.968367 109
  77.038577 3.908273 39
  79.054227 6.003337 59
  81.069877 2.971847 29
  91.054227 4.411279 44
//