MassBank Record: MSBNK-Waters-WA000062
ACCESSION: MSBNK-Waters-WA000062
RECORD_TITLE: Chloridazon; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Chloridazon
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H8ClN3O
CH$EXACT_MASS: 221.03559
CH$SMILES: NC(C=2)=C(Cl)C(=O)N(N2)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
CH$LINK: CAS
1698-60-8
CH$LINK: INCHIKEY
WYKYKTKDBLFHCY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3034872
AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 221.96
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0f96-9400000000-945f2c1a6d3db083c076
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
51 16 16
55 55 55
65 470 470
66 24 24
72 8 8
73 31 31
75 8 8
77 921 921
78 12 12
83 47 47
87 121 121
92 999 999
93 223 223
101 180 180
102 12 12
103 611 611
105 16 16
115 12 12
116 35 35
118 24 24
120 8 8
129 168 168
130 59 59
132 27 27
141 12 12
146 168 168
147 8 8
149 39 39
158 20 20
159 12 12
163 8 8
164 12 12
177 8 8
186 8 8
191 90 90
193 24 24
207 20 20
222 94 94
//