MassBank Record: JP000018



 2,4-DIMETHYLPHENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000018
RECORD_TITLE: 2,4-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$NAME: 2,4-DIMETHYLPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H10O CH$EXACT_MASS: 122.07316 CH$SMILES: Cc(c1)cc(C)c(O)c1 CH$IUPAC: InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/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$SPLASH: splash10-05fr-6900000000-a95cb4f62c467e4d09c0 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 51 21.03 210 52 8.71 87 53 14.16 142 54 2.15 22 55 4.69 47 59 2.27 23 60 5.94 59 61 4.02 40 62 4.9 49 63 7.66 77 64 3.83 38 65 10.96 110 66 3.37 34 76 10.21 102 77 36.06 361 78 15.06 151 79 20.19 202 80 2.66 27 90 4.91 49 91 24 240 92 4.01 40 93 5.97 60 94 4.7 47 102 2.32 23 103 5.51 55 104 4.2 42 105 2.97 30 106 27.2 272 107 99.99 999 108 11.4 114 120 13.14 131 121 65.1 651 122 80.71 807 123 7.43 74 //