MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007698
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007698
RECORD_TITLE: HEXADECYL 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$NAME: HEXADECYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H33Br
CH$EXACT_MASS: 304.17656
CH$SMILES: CCCCCCCCCCCCCCCCBr
CH$IUPAC: InChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
CH$LINK: CAS
112-82-3
CH$LINK: INCHIKEY
HNTGIJLWHDPAFN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2049397
AC$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-9100000000-1403cf804a3cee79e60f
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
40 2.4 24
41 70.5 705
42 15.8 158
43 99.99 999
44 3.8 38
53 3 30
54 3.6 36
55 4.75 48
56 14.4 144
57 79 790
58 3.4 34
67 0.32 3
68 2.1 21
69 25.2 252
70 7.7 77
71 3.51 35
72 2 20
81 1.3 13
82 1.8 18
83 1.14 11
84 3.1 31
85 17.6 176
86 1.2 12
97 0.62 6
98 1.5 15
99 3.7 37
107 0.9 9
109 0.09 1
111 1.8 18
112 0.6 6
113 1.9 19
121 0.04 0
123 0.5 5
125 0.4 4
126 0.3 3
127 0.1 1
134 1.6 16
135 21.1 211
136 1.8 18
137 2.08 21
138 0.9 9
141 0.8 8
148 0.5 5
149 0.56 6
150 0.8 8
151 3.6 36
155 0.5 5
162 0.02 0
163 0.6 6
164 0.2 2
165 0.5 5
169 0.03 0
177 0.2 2
179 0.2 2
191 0.1 1
193 0.01 0
205 0.1 1
207 0.1 1
223 0.1 1
225 0.2 2
//