MassBank Record: JP000014



 3,4-DIMETHYLPHENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000014
RECORD_TITLE: 3,4-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$NAME: 3,4-DIMETHYLPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H10O CH$EXACT_MASS: 122.07316 CH$SMILES: Oc(c1)cc(C)c(C)c1 CH$IUPAC: InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/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$SPLASH: splash10-0ab9-4900000000-fb3dd3acd7e4d6949270 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 51 10.42 104 52 4.13 41 53 7.66 77 55 3.4 34 59 2.34 23 60 3.99 40 61 2.28 23 62 2.14 21 63 3.16 32 65 5.3 53 76 4.9 49 77 24.8 248 78 6.4 64 79 10.19 102 90 3.23 32 91 13.4 134 92 2.08 21 93 3.17 32 103 2.8 28 106 17.01 170 107 99.99 999 108 7.81 78 120 7.82 78 121 45.51 455 122 64.9 649 123 5.92 59 //