ACCESSION: MSBNK-EPA-ENTACT_AGILENT000930
RECORD_TITLE: Butylphthalyl butylglycolate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Butylphthalyl butylglycolate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₄O₆
CH$EXACT_MASS: 336.1572884994
CH$SMILES: CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC
CH$IUPAC: InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3
CH$LINK: CAS 85-70-1
CH$LINK: INCHIKEY GOJCZVPJCKEBQV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6819

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$FOCUSED_ION: PRECURSOR_M/Z 337.1645649511
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-4900000000-c9866547a3b5eb97f123
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41.038577 6.817457 68
  43.017841 1.692384 16
  55.054227 1.608915 16
  57.069877 27.660104 276
  65.038577 7.282306 72
  93.033491 10.046656 100
  121.028406 19.789508 197
  149.02332 99.999998 999
//