MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010450
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010450
RECORD_TITLE: CHLOROBENZENE; 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$NAME: CHLOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5Cl
CH$EXACT_MASS: 112.00798
CH$SMILES: Clc(c1)cccc1
CH$IUPAC: InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
CH$LINK: INCHIKEY
MVPPADPHJFYWMZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4020298
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-03di-9500000000-12a9a9ae9833f5dbfa91
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
26 3.19 32
27 3.08 31
35 1.67 17
36 1.43 14
37 7.3 73
38 11.66 117
39 4.92 49
49 5.45 55
50 28.58 286
51 31.65 317
52 2.45 25
56 3.47 35
57 1.11 11
60 1.58 16
61 2.16 22
62 1.92 19
63 1.92 19
72 1.05 11
73 5.19 52
74 10.75 108
75 9.3 93
76 6.5 65
77 63.88 639
78 4.38 44
84 1.23 12
85 1.5 15
86 1.37 14
112 99.99 999
113 6.89 69
114 32.11 321
115 2.16 22
//