MassBank Record: MSBNK-EPA-ENTACT_AGILENT000449

Tri-o-cresyl phosphate; ESI-QTOF; MS2; CE: 10; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000449
RECORD_TITLE: Tri-o-cresyl phosphate; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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

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PK$SPLASH: splash10-014i-0009000000-8d3cf3588717c54e5070
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  91.054227 1.191409 11
  369.125022 100.000001 999
//