MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000179
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000179
RECORD_TITLE: PARA BROMOTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PARA BROMOTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7Br
CH$EXACT_MASS: 169.97311
CH$SMILES: Cc(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
CH$LINK: INCHIKEY
ZBTMRBYMKUEVEU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7024661
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9200000000-32efe1e76fb8e365db77
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 1.31 13
37 1.09 11
38 3.05 31
39 11.99 120
50 6.47 65
51 4.51 45
61 1.53 15
62 4.51 45
63 11.63 116
64 2.18 22
65 19.62 196
89 10.17 102
90 7.56 76
91 99.99 999
92 7.12 71
169 3.34 33
170 23.55 236
171 4.94 49
172 22.67 227
173 1.31 13
//
system version 2.2.6-SNAPSHOT