MassBank Record: MSBNK-EPA-ENTACT_AGILENT000677

2H-3,1-Benzoxazine-2,4(1H)-dione; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000677
RECORD_TITLE: 2H-3,1-Benzoxazine-2,4(1H)-dione; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: 2H-3,1-Benzoxazine-2,4(1H)-dione
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₅NO₃
CH$EXACT_MASS: 163.0269430338
CH$SMILES: O=C1OC(=O)NC2C=CC=CC1=2
CH$IUPAC: InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)
CH$LINK: CAS 118-48-9
CH$LINK: INCHIKEY TXJUTRJFNRYTHH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8359

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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 20

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MS$FOCUSED_ION: PRECURSOR_M/Z 162.0196665821
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0006-9000000000-09937c89ac40cea822cb
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  41.998537 100.000004 999
  42.034923 2.274441 22
  118.029837 10.344155 103
//