MassBank Record: JP000017



 3,5-DIMETHYLPHENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000017
RECORD_TITLE: 3,5-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$NAME: 3,5-DIMETHYLPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H10O CH$EXACT_MASS: 122.07316 CH$SMILES: Cc(c1)cc(O)cc(C)1 CH$IUPAC: InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/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$SPLASH: splash10-05fr-4900000000-75ebcb5bb55a3173e83d PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 51 13.34 133 52 5.45 55 53 10.56 106 55 4.49 45 59 2.57 26 60 5.21 52 61 2.6 26 62 2.77 28 63 4.2 42 64 2.36 24 65 6.87 69 66 2.85 29 67 2.58 26 76 5.13 51 77 34.17 342 78 10.2 102 79 20.67 207 90 3.41 34 91 17.33 173 92 2.6 26 93 5.4 54 94 3.08 31 103 3.62 36 104 2.75 28 105 2.6 26 106 23.76 238 107 99.99 999 108 8.32 83 120 8.13 81 121 55.3 553 122 95.27 953 123 8.83 88 //