MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007699
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007699
RECORD_TITLE: OCTADECYL 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$NAME: OCTADECYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H37Br
CH$EXACT_MASS: 332.20786
CH$SMILES: CCCCCCCCCCCCCCCCCCBr
CH$IUPAC: InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
CH$LINK: CAS
112-89-0
CH$LINK: INCHIKEY
WSULSMOGMLRGKU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8059423
AC$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: splash10-052f-9000000000-141e4e4cb3309fe9e939
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
40 2.1 21
41 66 660
42 15 150
43 99.99 999
44 3.6 36
53 2.5 25
54 3.5 35
55 4.55 46
56 14.1 141
57 81.6 816
58 3.6 36
67 0.32 3
68 2.2 22
69 23.7 237
70 7.2 72
71 3.61 36
72 2 20
81 1.3 13
82 1.9 19
83 1.13 11
84 3.2 32
85 19 190
86 1.3 13
97 0.67 7
98 1.6 16
99 4.5 45
107 0.7 7
109 0.08 1
111 2.2 22
112 0.8 8
113 2.3 23
121 0.04 0
123 0.4 4
125 0.6 6
126 0.4 4
127 0.13 1
134 1.4 14
135 16.8 168
136 1.6 16
137 1.62 16
138 0.8 8
141 0.9 9
148 0.4 4
149 0.3 3
150 0.5 5
151 3 30
155 0.5 5
162 0.02 0
163 0.5 5
164 0.2 2
165 0.6 6
169 0.05 1
177 0.3 3
179 0.2 2
191 0.2 2
193 0.02 0
197 0.2 2
205 0.1 1
207 0.1 1
219 0.01 0
221 0.1 1
253 0.1 1
//