MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003049
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003049
RECORD_TITLE: 1,1,2-TRICHLORO-2-FLUOROETHANE; 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$NAME: 1,1,2-TRICHLORO-2-FLUOROETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H2Cl3F
CH$EXACT_MASS: 149.92061
CH$SMILES: FC(Cl)C(Cl)Cl
CH$IUPAC: InChI=1S/C2H2Cl3F/c3-1(4)2(5)6/h1-2H
CH$LINK: INCHIKEY
ORMSTDJYMPIZAO-UHFFFAOYSA-N
AC$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$SPLASH: splash10-001i-9100000000-b23f34a82cea4692b44c
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
24 0.7 7
25 2.8 28
26 5.5 55
27 0.02 0
31 3.5 35
32 1.1 11
33 0.2 2
35 0.58 6
36 2.6 26
37 2 20
38 0.9 9
43 0.04 0
44 7.2 72
45 8.7 87
46 0.2 2
47 0.53 5
48 3.6 36
49 4 40
50 1.2 12
51 0.07 1
57 0.1 1
58 0.1 1
59 1.1 11
60 0.45 5
61 2.7 27
62 1.5 15
63 0.8 8
66 0.04 0
67 23 230
68 0.4 4
69 7.5 75
70 0.03 0
78 1.4 14
79 15.9 159
80 6.7 67
81 0.52 5
82 2.7 27
83 99.99 999
84 0.4 4
85 6.35 64
86 0.6 6
87 10.3 103
94 1 10
95 1.01 10
96 0.9 9
97 6.6 66
98 0.9 9
99 0.11 1
101 3.8 38
103 2.4 24
105 0.4 4
113 0.01 0
114 0.2 2
115 1.5 15
116 0.2 2
117 0.08 1
118 0.1 1
119 0.2 2
148 0.1 1
149 0.08 1
150 8.4 84
151 1.3 13
152 8 80
154 0.24 2
156 0.3 3
//
system version 2.2.8-SNAPSHOT