MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007695
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007695
RECORD_TITLE: TRIDECYL BROMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: TRIDECYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H27Br
CH$EXACT_MASS: 262.12961
CH$SMILES: CCCCCCCCCCCCCBr
CH$IUPAC: InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
CH$LINK: CAS
765-09-3
CH$LINK: INCHIKEY
BFDNZQUBFCYTIC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6049355
AC$INSTRUMENT: SHIMADZU QP-1000
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: splash10-0006-9100000000-bd020a83b474abc6699e
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
40 3.2 32
41 80.1 801
42 17.8 178
43 99.99 999
44 3.8 38
53 3.8 38
54 3.5 35
55 5.08 51
56 14.4 144
57 71.7 717
58 3.2 32
67 0.33 3
68 2.1 21
69 27.7 277
70 7.3 73
71 2.98 30
72 1.6 16
81 1.1 11
82 1.5 15
83 1.04 10
84 2.8 28
85 15.3 153
86 1 10
97 0.51 5
98 1.2 12
99 2.7 27
107 1.3 13
109 0.13 1
111 1.2 12
113 1.5 15
121 0.6 6
123 0.05 1
125 0.2 2
127 0.8 8
134 2.2 22
135 2.74 27
136 2.5 25
137 27 270
138 1.2 12
141 0.03 0
148 0.4 4
149 4.4 44
150 0.5 5
151 0.44 4
152 0.3 3
163 0.4 4
165 0.4 4
177 0.01 0
179 0.1 1
//