MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009911
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009911
RECORD_TITLE: METHYL 2,2-DIMETHYL-3-(2,2-DICHLOROETHENYL)CYCLOPROPANOATE; 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$NAME: METHYL 2,2-DIMETHYL-3-(2,2-DICHLOROETHENYL)CYCLOPROPANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12Cl2O2
CH$EXACT_MASS: 222.02144
CH$SMILES: COC(=O)C(C(C=C(Cl)Cl)1)C(C)(C)1
CH$IUPAC: InChI=1S/C9H12Cl2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3
CH$LINK: INCHIKEY
QJOOIMSFFIUFKX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0028113
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$SPLASH: splash10-03g3-8900000000-dff0bb459c45d92cad23
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
27 10.6 106
29 3.3 33
36 4 40
38 5 50
39 25 250
41 20.8 208
43 11.6 116
50 6.7 67
51 8 80
52 20.8 208
53 14 140
55 6 60
61 41.3 413
63 9.8 98
65 12.8 128
67 7.5 75
73 42.3 423
75 11.8 118
77 25.3 253
79 8.5 85
81 5 50
83 7.7 77
85 14.2 142
87 5.7 57
89 5.7 57
91 96.4 964
92 12.6 126
93 10.8 108
95 5 50
99 4.8 48
109 17 170
111 14.8 148
112 3.2 32
113 14.8 148
114 2 20
121 5 50
123 5.8 58
125 6 60
127 63.4 634
128 14.5 145
129 22 220
130 4.3 43
139 6.8 68
145 3.8 38
149 6.8 68
151 5 50
152 5 50
163 99.99 999
164 7.8 78
165 62.7 627
166 5 50
167 5.3 53
179 3.2 32
187 70.7 707
188 6.8 68
189 23.2 232
191 13.5 135
193 3 30
222 3.8 38
//
system version 2.2.8-SNAPSHOT