MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005427
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005427
RECORD_TITLE: 1,1-CYCLOBUTANEDICARBOXYLIC ACID DIETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: 1,1-CYCLOBUTANEDICARBOXYLIC ACID DIETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O4
CH$EXACT_MASS: 200.10486
CH$SMILES: CCOC(=O)C(C1)(CC1)C(=O)OCC
CH$IUPAC: InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3
CH$LINK: INCHIKEY
JPNJEJSZSMXWSV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2063189
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-056s-9500000000-bef643d516455638c737
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
15 1.52 15
26 4.18 42
27 26.43 264
28 12.36 124
29 79.97 800
30 1.9 19
31 2.98 30
32 1.58 16
39 8.24 82
40 1.39 14
41 7.54 75
42 2.47 25
43 12.04 120
44 1.01 10
45 10.52 105
51 1.2 12
52 1.27 13
53 21.55 216
54 20.79 208
55 27.95 280
56 5.7 57
57 2.6 26
58 1.65 17
59 1.08 11
69 3.8 38
70 1.96 20
71 4.37 44
72 4.69 47
73 3.61 36
80 4.06 41
81 28.71 287
82 28.71 287
83 19.14 191
84 1.9 19
85 6.53 65
97 1.71 17
98 9.76 98
99 99.99 999
100 30.54 305
101 2.72 27
108 54.94 549
109 5.83 58
110 5.83 58
111 4.31 43
113 10.39 104
125 2.03 20
126 19.33 193
127 35.74 357
128 14.58 146
129 1.39 14
143 1.65 17
144 1.27 13
145 1.77 18
154 24.4 244
155 52.47 525
156 4.75 48
171 2.28 23
173 6.02 60
200 4.56 46
201 4.75 48
//