MassBank Record: MSBNK-Waters-WA000079
ACCESSION: MSBNK-Waters-WA000079
RECORD_TITLE: Dimethirimol; 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$NAME: Dimethirimol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H19N3O
CH$EXACT_MASS: 209.15281
CH$SMILES: CCCCc(c(C)1)c(O)nc(N(C)C)n1
CH$IUPAC: InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
CH$LINK: CAS
5221-53-4
CH$LINK: INCHIKEY
CJHXCRMKMMBYJQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8041874
AC$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 210.05
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-044m-9850000000-53ef1c8292fcf17f3f05
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
55 63 63
67 16 16
69 47 47
71 905 905
72 8 8
79 8 8
81 47 47
83 12 12
88 8 8
93 8 8
95 82 82
98 631 631
104 8 8
107 43 43
109 16 16
112 8 8
114 12 12
120 8 8
121 8 8
122 47 47
124 12 12
138 63 63
140 631 631
141 8 8
150 208 208
152 145 145
154 20 20
165 298 298
167 204 204
168 8 8
208 12 12
210 999 999
211 16 16
//