MassBank Record: MSBNK-EPA-ENTACT_AGILENT002003

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

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT002003
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

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MS$FOCUSED_ION: PRECURSOR_M/Z 211.109372037
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0002-9000000000-2a0267fcf0c70c0a8266
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  57.069877 2.688623 26
  98.984172 99.999998 999
  99.022927 1.806045 18
  155.046772 1.717748 17
//