ACCESSION: MSBNK-EPA-ENTACT_AGILENT000192
RECORD_TITLE: ECC; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-004l-9000000000-c925dd92b21f65b5eb1f
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  41.038577 19.366937 193
  43.017841 8.997467 89
  51.022927 5.519857 55
  53.038577 1.263327 12
  55.017841 7.435066 74
  55.054227 18.687907 186
  57.033491 1.610067 16
  65.038577 7.742831 77
  67.054227 26.614629 265
  69.069877 7.019298 70
  77.038577 100 999
  77.080835 1.075571 10
  78.046402 4.006255 40
  79.054227 49.714464 496
  81.069877 31.029568 309
  83.049141 1.764999 17
  91.054227 44.034938 439
  93.069877 15.456795 154
  93.091006 1.349781 13
  97.064791 3.136833 31
  151.054227 1.731928 17
//