MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008794
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008794
RECORD_TITLE: 1,2-DIBROMOPROPANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: 1,2-DIBROMOPROPANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6Br2
CH$EXACT_MASS: 199.88363
CH$SMILES: CC(Br)CBr
CH$IUPAC: InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3
CH$LINK: INCHIKEY
XFNJYAKDBJUJAJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60870403
AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-0076-9300000000-0ea9c767a7764678a1f1
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
36 1.35 14
37 8.55 86
38 14.78 148
39 66.26 663
40 8.57 86
41 99.99 999
42 8.16 82
43 0.22 2
79 7.9 79
80 3.77 38
81 7.86 79
82 3.44 34
83 0.28 3
91 0.73 7
92 0.59 6
93 4.62 46
94 0.7 7
95 4.11 41
96 0.1 1
104 0.33 3
105 1.66 17
106 0.77 8
107 2.41 24
108 0.42 4
109 0.78 8
110 0.02 0
115 0.03 0
116 0.09 1
117 0.2 2
118 0.1 1
119 0.62 6
121 38.34 383
123 37.72 377
124 1.27 13
125 0.02 0
158 0.25 3
160 0.46 5
161 0.03 0
162 0.24 2
171 0.03 0
184 0.02 0
185 0.1 1
186 0.04 0
187 0.2 2
189 0.1 1
200 0.25 3
201 0.04 0
202 0.43 4
204 0.18 2
//
system version 2.2.8-SNAPSHOT