MassBank Record: MSBNK-EPA-ENTACT_AGILENT002004

Phosphoric acid, dibutyl ester; ESI-QTOF; MS2; CE: 10; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT002004
RECORD_TITLE: Phosphoric acid, dibutyl ester; ESI-QTOF; MS2; CE: 10; [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 10

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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$SPLASH: splash10-0pdi-6590000000-a8c0d1c2ebd04475f89a
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  78.959054 72.543973 724
  78.995439 2.142652 21
  79.003682 1.193681 11
  153.032219 60.382484 603
  209.094819 100.000004 999
//