MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003045
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003045
RECORD_TITLE: 1,2-DICHLOROPENTANE; 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$NAME: 1,2-DICHLOROPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10Cl2
CH$EXACT_MASS: 140.01596
CH$SMILES: CCCC(Cl)CCl
CH$IUPAC: InChI=1S/C5H10Cl2/c1-2-3-5(7)4-6/h5H,2-4H2,1H3
CH$LINK: INCHIKEY
PPLBPDUKNRCHGG-UHFFFAOYSA-N
AC$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$SPLASH: splash10-052f-9000000000-547f2ca4facb6a53ab98
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
25 0.2 2
26 4.6 46
27 35.8 358
28 3.34 33
29 24.2 242
30 0.5 5
35 0.9 9
36 0.29 3
37 1.9 19
38 4.4 44
39 28.2 282
40 0.62 6
41 49.4 494
42 31.7 317
43 31 310
44 0.25 3
47 0.3 3
48 0.4 4
49 8.8 88
50 0.02 0
51 5.8 58
52 0.9 9
53 9.9 99
54 0.27 3
55 99.99 999
56 4.5 45
57 0.4 4
60 0.04 0
61 4.9 49
62 12.1 121
63 11.5 115
64 0.04 0
65 3.9 39
66 0.7 7
67 4 40
68 4.15 42
69 29.6 296
70 2.3 23
71 0.2 2
73 0.07 1
74 0.2 2
75 6.6 66
76 5.8 58
77 0.32 3
78 2 20
79 0.4 4
81 0.1 1
83 0.06 1
85 0.4 4
87 0.3 3
88 0.1 1
89 0.23 2
90 3.6 36
91 25.4 254
92 2.2 22
93 0.08 1
94 0.4 4
95 0.2 2
96 0.5 5
97 0.11 1
98 0.3 3
99 0.6 6
103 0.4 4
104 0.57 6
105 0.5 5
106 1.9 19
107 0.2 2
//