ACCESSION: MSBNK-EPA-ENTACT_AGILENT000326
RECORD_TITLE: Ethyl phthalyl ethyl glycolate; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0002-1900000000-2eb334406133bfff15bd
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  43.017841 2.031989 20
  43.054227 5.653599 56
  45.033491 1.370484 13
  59.012756 8.056532 80
  87.044056 3.762859 37
  121.028406 1.551179 15
  149.02332 99.999999 999
  177.054621 4.177037 41
  235.0601 3.271478 32
//