ACCESSION: MSBNK-EPA-ENTACT_AGILENT000325
RECORD_TITLE: Ethyl phthalyl ethyl glycolate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Ethyl phthalyl ethyl glycolate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₆O₆
CH$EXACT_MASS: 280.0946882442
CH$SMILES: CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC
CH$IUPAC: InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3
CH$LINK: CAS 84-72-0
CH$LINK: INCHIKEY PZBLUWVMZMXIKZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6785

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$FOCUSED_ION: PRECURSOR_M/Z 281.1019646959
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-7900000000-561ea1629bb274cc3143
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  31.017841 1.634654 16
  39.022927 2.190982 21
  41.038577 4.528373 45
  43.017841 2.00825 20
  43.054227 4.592575 45
  45.033491 3.6377 36
  59.012756 34.912468 348
  65.038577 29.508498 294
  91.054227 1.981518 19
  93.033491 38.108599 380
  107.085527 1.3376 13
  121.028406 46.852526 468
  149.02332 99.999997 999
//