MassBank Record: JP000026



 1,2-BENZENEDIOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000026
RECORD_TITLE: 1,2-BENZENEDIOL; 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$NAME: 1,2-BENZENEDIOL CH$NAME: PYROCATECHOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H6O2 CH$EXACT_MASS: 110.03678 CH$SMILES: Oc(c1)c(O)ccc1 CH$IUPAC: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
AC$INSTRUMENT: VARIAN MAT-44 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-8900000000-4e15f35dca47661de590 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 51 3.71 37 52 2.63 26 53 8.72 87 54 6.29 63 55 8.49 85 62 2.46 25 63 16.73 167 64 33.95 340 65 2.81 28 81 12.19 122 82 11.66 117 92 10.72 107 109 19.87 199 110 99.99 999 111 6.94 69 //