ACCESSION: MSBNK-EPA-ENTACT_AGILENT000448
RECORD_TITLE: Tri-o-cresyl phosphate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Tri-o-cresyl phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₁O₄P
CH$EXACT_MASS: 368.1177456491
CH$SMILES: CC1C=CC=CC=1OP(=O)(OC1C=CC=CC=1C)OC1C=CC=CC=1C
CH$IUPAC: InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3
CH$LINK: CAS 78-30-8
CH$LINK: INCHIKEY YSMRWXYRXBRSND-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6527

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 369.1250221008
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0219000000-71f61f4c078c743ec31c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  91.054227 10.046117 100
  107.049141 1.005018 10
  165.069877 3.469956 34
  166.077702 8.472764 84
  179.085527 2.646943 26
  181.101177 4.548809 45
  189.031122 2.720618 27
  197.096091 1.413541 14
  243.056943 1.887891 18
  256.124652 2.841623 28
  261.067507 4.149547 41
  277.062422 1.539589 15
  279.078072 3.213918 32
  369.125022 100.000003 999
//