MassBank Record: MSBNK-Waters-WA000063
ACCESSION: MSBNK-Waters-WA000063
RECORD_TITLE: Chloridazon; LC-ESI-QQ; MS2; CE:40 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 40 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: splash10-00ou-9200000000-09393816e63a4c8592e0
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
51 59 59
53 12 12
55 63 63
63 12 12
65 693 693
66 59 59
73 82 82
75 24 24
77 999 999
78 16 16
82 12 12
87 168 168
89 12 12
92 443 443
93 102 102
100 145 145
102 12 12
104 153 153
113 12 12
114 27 27
116 39 39
119 35 35
123 12 12
128 16 16
129 51 51
131 12 12
132 35 35
146 67 67
147 8 8
149 20 20
160 8 8
163 20 20
165 12 12
176 8 8
191 27 27
//