MassBank Record: JP000012



 2,6-DIMETHYLPHENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000012
RECORD_TITLE: 2,6-DIMETHYLPHENOL; 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$NAME: 2,6-DIMETHYLPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H10O CH$EXACT_MASS: 122.07316 CH$SMILES: Cc(c1)c(O)c(C)cc1 CH$IUPAC: InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
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$SPLASH: splash10-05i0-8900000000-6952903111c603d9229d PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 51 25.28 253 52 9.97 100 53 16.56 166 54 2.27 23 55 3.82 38 59 1.85 19 60 6.05 61 61 5.01 50 62 7.16 72 63 10.36 104 64 5.32 53 65 14.27 143 66 4.16 42 67 2.07 21 74 2.31 23 75 1.95 20 76 8.81 88 77 46.18 462 78 26.28 263 79 31.17 312 80 2.91 29 89 2.31 23 90 6.99 70 91 29.44 294 92 4.89 49 93 7.36 74 94 5.94 59 102 3.98 40 103 12.12 121 104 9.2 92 105 4.48 45 106 18.66 187 107 99.99 999 108 7.81 78 120 4.99 50 121 46.7 467 122 99.24 992 123 8.76 88 //