MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003628
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003628
RECORD_TITLE: CHLOROBENZENE; 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$NAME: CHLOROBENZENE
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-5900000000-0c50f1cf42286eb0397e
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
37 2 20
38 5 50
50 9.3 93
51 1.2 12
55 4 40
73 2 20
74 4.5 45
75 0.5 5
76 3 30
77 45.2 452
78 3 30
112 99.99 999
113 7.2 72
114 33 330
115 2 20
//