MassBank Record: JP000006



 2,3-DICHLOROPHENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000006
RECORD_TITLE: 2,3-DICHLOROPHENOL; 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$NAME: 2,3-DICHLOROPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H4Cl2O CH$EXACT_MASS: 161.96392 CH$SMILES: Oc(c1)c(Cl)c(Cl)cc1 CH$IUPAC: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
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$SPLASH: splash10-03di-9600000000-b51f95c4e14bee1d33be PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 51 4.43 44 53 10.39 104 60 9.21 92 61 24.93 249 62 43.19 432 63 99.99 999 64 12.57 126 65 4.81 48 66 3.39 34 71 3.67 37 72 15.34 153 73 25.07 251 74 11.84 118 75 8.79 88 81 4.78 48 82 3.25 33 83 2.63 26 84 3.87 39 85 2.49 25 87 5.09 51 89 2.21 22 91 6.02 60 96 3.11 31 97 12.05 121 98 35.88 359 99 22.09 221 100 13.5 135 101 6.26 63 107 3.33 33 109 2.73 27 125 3.11 31 126 59.16 592 127 5.61 56 128 19.32 193 133 5.33 53 135 2.84 28 161 2.52 25 162 68.96 690 163 6.51 65 164 51.64 516 165 2.9 29 166 7.58 76 //