ACCESSION: MSBNK-EPA-ENTACT_AGILENT000319
RECORD_TITLE: Acetyltriethyl citrate; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Acetyltriethyl citrate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O₈
CH$EXACT_MASS: 318.1314676802
CH$SMILES: CC(=O)OC(CC(=O)OCC)(CC(=O)OCC)C(=O)OCC
CH$IUPAC: InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3
CH$LINK: CAS 77-89-4
CH$LINK: INCHIKEY WEAPVABOECTMGR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6504

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$FOCUSED_ION: PRECURSOR_M/Z 319.1387441319
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-114i-0590000000-f129a8b0484e8b9cc956
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  139.002585 5.259817 52
  157.01315 3.343428 33
  157.049535 83.431614 833
  157.101177 2.021171 20
  167.033885 11.929825 119
  185.04445 28.200877 281
  203.0914 99.999998 999
  203.143042 2.637271 26
  203.164171 1.167319 11
  213.07575 95.464223 953
  213.148521 1.208626 12
  231.086315 1.914398 19
  273.096879 20.376424 203
  277.128179 16.015268 159
//