MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010239
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010239
RECORD_TITLE: DIMETHYL CIS-4-ACRYLOYL-4-CYCLOHEXENE-1,2-DICARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DIMETHYL CIS-4-ACRYLOYL-4-CYCLOHEXENE-1,2-DICARBOXYLATE
CH$NAME: DIMETHYL (1R,2S)-4-ACRYLOYL-4-CYCLOHEXENE-1,2-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H16O5
CH$EXACT_MASS: 252.09977
CH$SMILES: C=CC(=O)C(=C1)CC([H])(C(=O)OC)C([H])(C1)C(=O)OC
CH$IUPAC: InChI=1S/C13H16O5/c1-4-11(14)8-5-6-9(12(15)17-2)10(7-8)13(16)18-3/h4-5,9-10H,1,6-7H2,2-3H3/t9-,10+/m1/s1
CH$LINK: INCHIKEY
MFKLHWNYBKUURK-ZJUUUORDSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a59-7920000000-d98c0495a17dd6cfb920
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
39 6.38 64
41 3.81 38
43 7.56 76
44 2.84 28
50 3.63 36
51 9.41 94
52 5.05 51
53 6.38 64
55 66.06 661
56 2.89 29
59 20.77 208
63 2.69 27
65 2.62 26
77 29.31 293
78 14.06 141
79 18.1 181
91 8.57 86
93 4.65 47
103 3.5 35
104 3.12 31
105 15.56 156
106 3.19 32
107 4.65 47
113 3.73 37
115 6.78 68
131 3.29 33
132 6.54 65
133 99.99 999
134 12.79 128
135 2.66 27
137 6.1 61
160 2.16 22
161 4.57 46
165 3.84 38
166 1.85 19
167 5.7 57
168 15.25 153
169 2.38 24
177 4.43 44
183 8.81 88
184 1.38 14
192 35.17 352
193 5.98 60
194 1.35 14
220 17.45 175
221 24.46 245
222 3.13 31
252 18.84 188
253 2.49 25
//