MassBank Record: JP010450

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CHLOROBENZENE; EI-B; MS
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: JP010450
RECORD_TITLE: CHLOROBENZENE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 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 //