ACCESSION: MSBNK-EPA-ENTACT_AGILENT001733
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-0006-9000000000-a9c9fd2935093c9786bc
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  44.01309 3.634216 36
  65.038577 3.475616 34
  66.046402 14.622781 146
  72.983954 1.584518 15
  75.022927 8.209514 82
  92.049476 5.028204 50
  93.057301 99.999997 999
  98.999604 9.51178 95
  110.999604 4.810623 48
  126.010503 2.603604 26
//