MassBank Record: MSBNK-Waters-WA002756
ACCESSION: MSBNK-Waters-WA002756
RECORD_TITLE: Diuron; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Diuron
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10Cl2N2O
CH$EXACT_MASS: 232.01702
CH$SMILES: CN(C)C(=O)Nc(c1)cc(Cl)c(Cl)c1
CH$IUPAC: InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
CH$LINK: CAS
330-54-1
CH$LINK: INCHIKEY
XMTQQYYKAHVGBJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0020446
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 17.030 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0059-0900000000-2b4df186019455e9776d
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
101 35 35
102 27 27
105 31 31
106 43 43
107 47 47
109 494 494
110 86 86
111 98 98
112 16 16
114 31 31
115 94 94
121 20 20
123 20 20
124 114 114
125 999 999
126 71 71
127 337 337
129 27 27
132 16 16
133 901 901
134 27 27
135 529 529
136 39 39
137 102 102
139 39 39
140 16 16
141 43 43
142 47 47
143 43 43
144 8 8
146 8 8
147 43 43
148 20 20
150 51 51
152 20 20
154 8 8
156 20 20
158 12 12
160 63 63
161 55 55
162 31 31
165 35 35
168 12 12
171 8 8
172 16 16
174 59 59
176 8 8
179 12 12
187 12 12
193 8 8
199 20 20
209 31 31
213 8 8
219 8 8
221 8 8
222 16 16
229 8 8
233 94 94
234 20 20
235 43 43
240 12 12
244 20 20
249 16 16
255 12 12
256 8 8
268 16 16
271 16 16
274 8 8
276 8 8
//