MassBank Record: MSBNK-EPA-ENTACT_AGILENT000929
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000929
RECORD_TITLE: Butylphthalyl butylglycolate; ESI-QTOF; MS2; CE: 10; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 10
MS$FOCUSED_ION: PRECURSOR_M/Z 337.1645649511
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0002-0940000000-72d5ca7d15ffae021530
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
57.069877 2.916774 29
149.02332 100.000003 999
205.085921 5.720658 57
207.0288 5.487462 54
263.0914 34.409396 343
//
system version 2.2.7-hotfix1