ACCESSION: MSBNK-EPA-ENTACT_AGILENT001966
RECORD_TITLE: Tripropyl phosphate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Tripropyl phosphate
CH$NAME: DTXSID4052712
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₁O₄P
CH$EXACT_MASS: 224.1177456491
CH$SMILES: CCCOP(=O)(OCCC)OCCC
CH$IUPAC: InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3
CH$LINK: CAS 513-08-6
CH$LINK: CHEMSPIDER 10106
CH$LINK: INCHIKEY RXPQRKFMDQNODS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10546

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$FOCUSED_ION: PRECURSOR_M/Z 225.1250221008
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9000000000-c1ab332c70c2ecb4096a
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  41.038577 3.673235 36
  43.054227 4.675452 46
  62.963042 1.412532 14
  80.973607 44.742702 446
  98.984172 100.000003 999
  99.022927 2.992717 29
  99.035813 1.662608 16
//