ACCESSION: MSBNK-EPA-ENTACT_AGILENT001737
RECORD_TITLE: 4-Chlorophenylurea; ESI-QTOF; MS2; CE: 20; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 171.0319670221
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-002f-9600000000-a6fa1d8723b5fc19186d
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  66.046402 1.08014 10
  92.049476 1.455911 14
  93.057301 99.999999 999
  98.999604 1.307689 13
  110.999604 1.019402 10
  126.010503 16.915441 168
  128.026153 46.701942 466
  154.005418 3.828799 38
  171.031967 4.666214 46
//