ACCESSION: MSBNK-EPA-ENTACT_AGILENT001735
RECORD_TITLE: 4-Chlorophenylurea; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Chlorophenylurea
CH$NAME: DTXSID5041512
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇ClN₂O
CH$EXACT_MASS: 170.0246905704
CH$SMILES: NC(=O)NC1C=CC(Cl)=CC=1
CH$IUPAC: InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
CH$LINK: CAS 140-38-5
CH$LINK: INCHIKEY RECCURWJDVZHIH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8796

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 169.0174141187
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000x-9000000000-bd803cf9ce1a510af709
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  34.969401 73.44566 733
  41.998537 100.000002 999
  42.022347 1.167077 11
  65.003288 1.451338 14
  65.014522 3.869033 38
  100.96739 6.225701 62
  126.0116 3.047697 30
//