MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007696
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007696
RECORD_TITLE: TETRADECYL 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$NAME: TETRADECYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H29Br
CH$EXACT_MASS: 276.14526
CH$SMILES: CCCCCCCCCCCCCCBr
CH$IUPAC: InChI=1S/C14H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
CH$LINK: CAS
112-71-0
CH$LINK: INCHIKEY
KOFZTCSTGIWCQG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3038725
AC$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-ca135eeb6d9ae9b4b1b0
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
40 2.9 29
41 75.5 755
42 17.3 173
43 99.99 999
44 3.9 39
53 3.6 36
54 3.4 34
55 4.95 50
56 14.9 149
57 76.9 769
58 3.4 34
67 0.31 3
68 2 20
69 26.2 262
70 7.1 71
71 3.05 31
72 1.7 17
81 1.1 11
82 1.5 15
83 1.02 10
84 2.8 28
85 15.1 151
86 1 10
97 0.51 5
98 1.2 12
99 2.7 27
107 1 10
109 0.1 1
111 1.2 12
112 0.5 5
113 1.2 12
121 0.05 1
123 0.5 5
125 0.3 3
127 0.9 9
134 0.19 2
135 24.6 246
136 2 20
137 24 240
138 0.11 1
141 0.5 5
148 0.4 4
149 4 40
150 0.06 1
151 4.1 41
152 0.2 2
155 0.2 2
163 0.05 1
164 0.2 2
165 0.4 4
177 0.1 1
179 0.01 0
191 0.1 1
//