MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004640
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004640
RECORD_TITLE: (6-BROMO-(E)-1-HEXENYL)BENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (6-BROMO-(E)-1-HEXENYL)BENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H15Br
CH$EXACT_MASS: 238.03571
CH$SMILES: BrCCCCC([H])=C([H])c(c1)cccc1
CH$IUPAC: InChI=1S/C12H15Br/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3-6,8-10H,1-2,7,11H2/b8-4+
CH$LINK: INCHIKEY
HXQXSNNOGXXMLU-XBXARRHUSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-017i-2900000000-8be79799eadbf9402bde
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
28 19.3 193
32 3.1 31
43 5.3 53
53 0.24 2
58 3.1 31
65 2 20
77 3.6 36
78 0.21 2
80 2.7 27
82 2.4 24
91 41.9 419
92 0.24 2
102 1.3 13
103 6.2 62
104 2.6 26
105 0.15 2
115 35.9 359
116 16.2 162
117 73.2 732
118 0.8 8
127 8 80
128 16.3 163
129 39 390
130 4.23 42
131 99.99 999
132 10.2 102
199 25.6 256
210 2.56 26
211 2.6 26
212 26.5 265
213 3.3 33
//