MassBank Record: JP000448



 2-ACETYL-1-TRIDEUTEROMETHYLINDOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000448
RECORD_TITLE: 2-ACETYL-1-TRIDEUTEROMETHYLINDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 2-ACETYL-1-TRIDEUTEROMETHYLINDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H11NO CH$EXACT_MASS: 173.08406 CH$SMILES: CC(=O)c(c1)n(C([2H])([2H])[2H])c(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C11H11NO/c1-8(13)11-7-9-5-3-4-6-10(9)12(11)2/h3-7H,1-2H3/i2D3
AC$INSTRUMENT: MX-1303 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03g0-5900000000-6521df59f67e52686a54 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 39 2.7 27 43 8.5 85 51 1.2 12 62 0.17 2 63 6.1 61 77 1.1 11 78 1.8 18 79 0.12 1 88 3.1 31 89 99.9 999 90 3.8 38 104 0.1 1 105 1 10 114 1.1 11 115 2.6 26 131 0.11 1 132 3 30 133 6.5 65 147 1.6 16 160 0.71 7 161 99.99 999 162 4.6 46 174 17.7 177 175 1.11 11 176 86.5 865 177 4.6 46 //