ACCESSION: MSBNK-EPA-ENTACT_AGILENT001774
RECORD_TITLE: Tripropylene glycol butyl ether; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Tripropylene glycol butyl ether
CH$NAME: DTXSID8042503
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₈O₄
CH$EXACT_MASS: 248.1987593824
CH$SMILES: CC(COC(O)CC)OC(CC)OCCCC
CH$IUPAC: InChI=1S/C13H28O4/c1-5-8-9-15-13(7-3)17-11(4)10-16-12(14)6-2/h11-14H,5-10H2,1-4H3
CH$LINK: CAS 55934-93-5
CH$LINK: INCHIKEY RNFAKTRFMQEEQE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:60196418

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$FOCUSED_ION: PRECURSOR_M/Z 249.2060358341
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9100000000-2c8d1d648e57be507622
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41.038577 1.996415 19
  57.033491 2.447125 24
  57.069877 11.151785 111
  59.049141 99.999999 999
  59.085527 1.811715 18
  115.111742 9.399998 93
  117.091006 3.839174 38
  173.153606 4.46682 44
//