MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010741
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010741
RECORD_TITLE: IPRODIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: IPRODIONE
CH$NAME: 3-(3,5-DICHLOROPHENYL)-N-ISOPROPYL-2,4-DIOXO-1-IMIDAZOLIDINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H13Cl2N3O3
CH$EXACT_MASS: 329.03340
CH$SMILES: CC(C)NC(=O)N(C2)C(=O)N(C(=O)2)c(c1)cc(Cl)cc(Cl)1
CH$IUPAC: InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)
CH$LINK: INCHIKEY
ONUFESLQCSAYKA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3024154
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0909-6449000000-93c62a4c93a722068735
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
29 2.17 22
30 4.29 43
41 1.85 19
42 4.34 43
43 20.94 209
44 9.53 95
56 20.03 200
57 1.56 16
58 46.93 469
59 1.72 17
70 21.29 213
84 4.58 46
85 2.05 21
86 1.94 19
99 1.59 16
124 1.33 13
160 1.48 15
161 3.29 33
162 1.37 14
163 1.82 18
175 1.24 12
181 1.93 19
187 32.43 324
188 13.54 135
189 22.15 222
190 9.18 92
191 4.39 44
192 1.47 15
216 12.57 126
217 1.7 17
218 7.73 77
220 1.42 14
244 23.44 234
245 18.2 182
246 16.39 164
247 11.48 115
248 3.62 36
249 1.82 18
271 7.19 72
273 4.62 46
314 99.99 999
315 14.59 146
316 65.13 651
317 9.03 90
318 11.34 113
319 1.5 15
329 5.72 57
330 1.16 12
331 3.73 37
//