ACCESSION: MSBNK-EPA-ENTACT_AGILENT000327
RECORD_TITLE: Ethyl phthalyl ethyl glycolate; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-002k-0920000000-db9afdc3e7c3ee87928e
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  43.054227 2.78994 27
  59.012756 2.549156 25
  65.038577 1.579653 15
  87.044056 3.128503 31
  135.080441 1.719777 17
  149.02332 100.000001 999
  177.054621 82.800782 827
  235.0601 55.823753 557
//