MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010043
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010043
RECORD_TITLE: DIMETHYL 2,5-DICHLORO-4-METHOXYCARBONYL PHENYLAMINOMETHYLPHOPHONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: DIMETHYL 2,5-DICHLORO-4-METHOXYCARBONYL PHENYLAMINOMETHYLPHOPHONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14Cl2NO5P
CH$EXACT_MASS: 340.99866
CH$SMILES: COC(=O)c(c1)c(Cl)cc(NCP(=O)(OC)OC)c(Cl)1
CH$IUPAC: InChI=1S/C11H14Cl2NO5P/c1-17-11(15)7-4-9(13)10(5-8(7)12)14-6-20(16,18-2)19-3/h4-5,14H,6H2,1-3H3
CH$LINK: INCHIKEY
LWQMIQAGQGFXHX-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0uei-1690000000-bfc96ef118c63010b5ed
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
28 6.71 67
32 7.4 74
62 9.42 94
63 14.89 149
73 15.57 156
74 13.94 139
75 9.3 93
97 13.53 135
99 11.27 113
100 10.99 110
109 15.39 154
124 24.31 243
125 12.99 130
126 10.34 103
136 14.65 147
137 11.11 111
138 11.54 115
153 14 140
160 32.42 324
161 12.11 121
162 21.1 211
163 13.74 137
169 2 20
172 16.45 165
174 10.06 101
188 86.16 862
189 7.68 77
190 56.91 569
192 9.34 93
200 99.99 999
201 9.91 99
202 66.32 663
203 11.15 112
204 11.15 112
219 80.6 806
220 7.18 72
221 49.37 494
223 7.4 74
231 87.4 874
232 12.17 122
233 55.94 559
234 5.52 55
235 9.47 95
//
system version 2.2.6-SNAPSHOT