MassBank Record: MSBNK-EPA-ENTACT_AGILENT001912
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001912
RECORD_TITLE: N-(3,4-Dichlorophenyl)-N'-methylurea; ESI-QTOF; MS2; CE: 20; [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 20
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: splash10-0006-3900000000-bf6b17556e69e810517c
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
61.007276 16.44509 164
79.018328 1.783084 17
83.000667 2.283169 22
92.997593 1.48446 14
98.974452 22.200164 221
99.982277 5.442111 54
101.002191 1.163143 11
102.969367 1.011044 10
117.020915 1.78096 17
120.983954 2.121145 21
122.987028 22.149532 221
125.974118 3.388524 33
127.018328 1.354632 13
140.997593 100.000002 999
161.987181 1.082189 10
176.986847 1.103206 11
200.99808 2.843725 28
219.008645 3.310562 33
//
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