MassBank Record: MSBNK-EPA-ENTACT_AGILENT002007

Phosphoric acid, dibutyl ester; ESI-QTOF; MS2; CE: 40; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT002007
RECORD_TITLE: Phosphoric acid, dibutyl ester; ESI-QTOF; MS2; CE: 40; [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 40

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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$SPLASH: splash10-001j-9000000000-ca7252a135fcc68ada71
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  39.022927 1.319121 13
  41.038577 6.557777 65
  57.069877 1.741828 17
  62.963042 3.170575 31
  80.973607 99.999999 999
  81.009992 1.413686 14
  98.984172 87.596395 875
  99.022927 1.249202 12
//