MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011052
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011052
RECORD_TITLE: BETA-BROMOISOPROPYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BETA-BROMOISOPROPYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11Br
CH$EXACT_MASS: 198.00441
CH$SMILES: BrCC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H11Br/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
CH$LINK: CAS
1459-00-3
CH$LINK: INCHIKEY
XJWVCWQKZQENDS-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4i-5900000000-2f4b9c6f5326346a6080
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
15 1.13 11
27 3.4 34
28 1.24 12
39 6.49 65
41 5.27 53
50 3.36 34
51 7.58 76
52 1.78 18
63 3.14 31
65 3.46 35
74 1.12 11
75 1.19 12
76 1.42 14
77 11.54 115
78 7.97 80
79 7.83 78
89 1.73 17
91 28.14 281
92 2.47 25
93 2.01 20
95 1.93 19
102 2.21 22
103 12.14 121
104 15.48 155
105 99.99 999
106 9.03 90
115 4.14 41
116 1.08 11
117 6.33 63
118 4.51 45
119 8.95 90
198 11.03 110
199 1.15 12
200 10.59 106
201 1.09 11
//