MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000949
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000949
RECORD_TITLE: CHLOROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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$LINK: CAS
108-90-7
CH$LINK: INCHIKEY
MVPPADPHJFYWMZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4020298
AC$INSTRUMENT: JEOL JMS-01-SG
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: splash10-03fr-9700000000-82e784dca91e262a7e4d
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
37 5.2 52
38 7.3 73
39 2.6 26
45 1.19 12
49 4.6 46
50 25 250
51 25.8 258
56 0.31 3
61 2.2 22
73 6.1 61
74 11.4 114
75 0.97 10
76 6.2 62
77 67.6 676
78 4.4 44
89 0.32 3
112 99.99 999
113 7 70
114 31.4 314
//