MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006296
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006296
RECORD_TITLE: ALPHA-BROMO-O-XYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ALPHA-BROMO-O-XYLENE
CH$NAME: 2-METHYLBENZYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9Br
CH$EXACT_MASS: 183.98876
CH$SMILES: BrCc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
CH$LINK: CAS
89-92-9
CH$LINK: INCHIKEY
WGVYCXYGPNNUQA-UHFFFAOYSA-N
AC$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: splash10-0a6r-9700000000-c7d4e2510ed9836b6041
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
15 2.8 28
26 3.14 31
27 10.73 107
28 1.22 12
29 1.1 11
31 1.26 13
32 1.11 11
37 1.68 17
38 5.22 52
39 15.25 153
40 1.61 16
41 0.83 8
49 1.07 11
50 10.3 103
51 18.4 184
52 7.18 72
53 2.47 25
61 1.54 15
62 4.24 42
63 9.63 96
64 2.01 20
65 3.52 35
66 0.58 6
74 2.84 28
75 2.08 21
76 2.19 22
77 17.96 180
78 11.61 116
79 14.58 146
80 1.09 11
81 2.85 29
82 0.93 9
87 0.63 6
89 2.88 29
90 1.1 11
91 1.88 19
92 0.63 6
102 2.6 26
103 13.08 131
104 8.71 87
105 99.99 999
106 9.21 92
171 0.52 5
184 4.58 46
185 0.64 6
186 4.44 44
//