MassBank Record: MSBNK-EPA-ENTACT_AGILENT002006

Phosphoric acid, dibutyl ester; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT002006
RECORD_TITLE: Phosphoric acid, dibutyl ester; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: Phosphoric acid, dibutyl ester
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₉O₄P
CH$EXACT_MASS: 210.1020955853
CH$SMILES: CCCCOP(O)(=O)OCCCC
CH$IUPAC: InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)
CH$LINK: CAS 107-66-4
CH$LINK: INCHIKEY JYFHYPJRHGVZDY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7881

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AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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MS$FOCUSED_ION: PRECURSOR_M/Z 209.0948191336
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-004i-9000000000-6c8840a95f7aa0f3e3dd
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  78.959054 100 999
  78.995439 4.248316 42
  79.003682 2.105111 21
  96.969619 1.011742 10
  153.032219 8.764869 87
  209.094819 1.338322 13
//