ACCESSION: MSBNK-EPA-ENTACT_AGILENT000191
RECORD_TITLE: ECC; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: ECC
CH$NAME: DTXSID2027466
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₀O₄
CH$EXACT_MASS: 252.1361591272
CH$SMILES: O=C(OCC1CC2OC2CC1)C1CC2OC2CC1
CH$IUPAC: InChI=1S/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2
CH$LINK: CAS 2386-87-0
CH$LINK: INCHIKEY YXALYBMHAYZKAP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:16949

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$FOCUSED_ION: PRECURSOR_M/Z 253.1434355789
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03dl-8900000000-248d12090828b0588a6d
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  41.038577 1.29514 12
  43.017841 2.124559 21
  47.012756 1.323017 13
  55.017841 4.676135 46
  67.054227 11.946343 119
  69.069877 3.959573 39
  77.038577 4.045677 40
  79.054227 15.20025 151
  81.069877 20.768939 207
  83.085527 2.125272 21
  91.054227 6.229168 62
  93.069877 67.894131 678
  93.112135 1.007478 10
  97.064791 15.38709 153
  97.085921 1.365011 13
  107.049141 7.061769 70
  111.080441 100 999
  111.116827 1.736345 17
  125.059706 25.206248 251
  129.091006 3.253819 32
  143.070271 23.335304 233
  253.143436 14.049021 140
//