MassBank Record: JP000015



 2,5-DIMETHYLPHENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000015
RECORD_TITLE: 2,5-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$NAME: 2,5-DIMETHYLPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H10O CH$EXACT_MASS: 122.07316 CH$SMILES: Cc(c1)cc(O)c(C)c1 CH$IUPAC: InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)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$SPLASH: splash10-05i0-5900000000-0b63ea14970dee15cedb PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 51 14.5 145 52 5.42 54 53 9.5 95 55 3.07 31 59 2.13 21 60 4.85 49 61 2.95 30 62 2.76 28 63 4.05 41 64 2.68 27 65 6.8 68 66 2.25 23 76 6.74 67 77 34.37 344 78 14.29 143 79 21.66 217 80 2.04 20 90 4.62 46 91 19.75 198 92 3.48 35 93 6.39 64 94 4.21 42 102 2.24 22 103 7.47 75 104 6.31 63 105 3.24 32 106 17.69 177 107 99.99 999 108 7.95 80 120 4.36 44 121 45.58 456 122 92.34 923 123 8 80 //