MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003042
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003042
RECORD_TITLE: 1,2-DICHLOROBUT-3-ENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 1,2-DICHLOROBUT-3-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6Cl2
CH$EXACT_MASS: 123.98466
CH$SMILES: C=CC(Cl)CCl
CH$IUPAC: InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2
CH$LINK: INCHIKEY
XVEASTGLHPVZNA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8022113
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004r-9000000000-629b5ee220c7b5736161
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
25 1.1 11
26 9 90
27 35.3 353
28 0.77 8
29 1.6 16
35 1.1 11
36 4.5 45
37 0.28 3
38 4.8 48
39 39.8 398
40 1.9 19
41 0.35 4
42 2 20
43 2.7 27
44 0.9 9
47 0.07 1
48 0.9 9
49 12.5 125
50 9.1 91
51 1.71 17
52 4 40
53 38.7 387
54 8 80
55 0.45 5
56 0.8 8
57 2.5 25
60 0.8 8
61 0.43 4
62 10.2 102
63 2.8 28
64 3.4 34
65 0.06 1
67 1.2 12
69 2.6 26
70 0.6 6
71 0.13 1
73 1.4 14
75 99.99 999
76 3.3 33
77 0.33 3
78 1.3 13
81 2 20
83 1.9 19
85 0.08 1
87 3.6 36
88 18.2 182
89 47.7 477
90 0.08 1
91 15.9 159
92 0.9 9
95 2 20
97 0.15 2
99 0.2 2
109 1.7 17
111 1.2 12
113 0.02 0
124 5.1 51
126 2.4 24
128 0.6 6
//