MassBank Record: MSBNK-EPA-ENTACT_AGILENT001910
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001910
RECORD_TITLE: N-(3,4-Dichlorophenyl)-N'-methylurea; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N-(3,4-Dichlorophenyl)-N'-methylurea
CH$NAME: DTXSID3042180
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8Cl2N2O
CH$EXACT_MASS: 218.0013683123
CH$SMILES: CNC(=O)NC1=CC(Cl)=C(Cl)C=C1
CH$IUPAC: InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)
CH$LINK: CAS
3567-62-2
CH$LINK: INCHIKEY
IDQHRQQSSQDLTR-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:19113
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
MS$FOCUSED_ION: PRECURSOR_M/Z 219.008644764
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-014l-1980000000-298f5adb2080e5fcf0ca
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
61.007276 3.237198 32
79.018328 1.189904 11
98.974452 14.486566 144
99.982277 2.662261 26
101.002678 1.163172 11
122.987028 2.207934 22
136.978869 2.101731 20
140.961695 14.753888 147
140.997593 77.510242 774
141.021402 2.649153 26
176.986847 6.741943 67
177.992842 10.212259 102
183.008645 1.595106 15
200.99808 13.927402 139
219.008645 100.000003 999
//
system version 2.2.8-SNAPSHOT