ACCESSION: MSBNK-EPA-ENTACT_AGILENT000494
RECORD_TITLE: epsilon-Decalactone; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0ldr-9500000000-a793656159c1931df8ad
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  41.038577 13.79239 137
  43.017841 9.269289 92
  43.054227 11.110724 110
  55.017841 3.572537 35
  55.054227 25.906054 258
  57.033491 5.10838 51
  57.069877 17.880084 178
  59.049141 1.891746 18
  67.054227 8.289043 82
  69.033491 3.534416 35
  69.069877 99.999999 999
  71.049141 4.792248 47
  71.085527 8.295308 82
  73.028406 1.233248 12
  79.054227 9.383898 93
  79.075356 1.256011 12
  81.069877 9.294581 92
  83.049141 4.236657 42
  83.085527 22.725834 227
  83.106656 2.521556 25
  87.080441 5.40886 54
  93.033491 1.282679 12
  93.069877 10.686621 106
  95.085527 3.100996 30
  97.064791 30.698214 306
  97.101177 1.800813 17
  101.059706 1.226129 12
  107.085527 19.641993 196
  109.101177 8.694354 86
  111.044056 1.838767 18
  111.080441 7.517126 75
  111.116827 10.797019 107
  115.075356 6.82201 68
  125.132477 7.150867 71
  135.116827 58.200266 581
  153.127392 64.984016 649
  171.137956 15.108395 150
//