ACCESSION: MSBNK-EPA-ENTACT_AGILENT000495
RECORD_TITLE: epsilon-Decalactone; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0aor-9100000000-6618f0a8ac071d124233
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  29.038577 2.571012 25
  39.022927 4.928559 49
  41.038577 25.681288 256
  43.017841 10.555976 105
  43.054227 14.009157 139
  55.017841 2.608432 26
  55.054227 80.135048 800
  57.033491 1.90745 19
  57.069877 27.722736 276
  59.049141 1.445516 14
  67.054227 13.953375 139
  69.033491 1.003174 10
  69.069877 100.000005 999
  69.091006 2.812615 28
  71.085527 3.088124 30
  73.064791 6.840056 68
  77.038577 1.305835 13
  79.054227 10.387533 103
  81.069877 2.543076 25
  83.085527 22.868544 228
  87.080441 1.296679 12
  91.054227 4.64047 46
  93.069877 17.371092 173
  95.085527 13.525023 135
  97.064791 9.787099 97
  105.069877 2.12299 21
  107.085527 14.431201 144
  109.101177 6.280449 62
  111.080441 3.414373 34
  115.075356 2.254219 22
  135.116827 12.935141 129
  153.127392 2.744527 27
//