MassBank Record: JP000447



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

ACCESSION: JP000447
RECORD_TITLE: 3-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$NAME: 3-ACETYL-1-TRIDEUTEROMETHYLINDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H11NO CH$EXACT_MASS: 173.08406 CH$SMILES: CC(=O)c(c1)c(c2)c(ccc2)n(C([2H])([2H])[2H])1 CH$IUPAC: InChI=1S/C11H11NO/c1-8(13)10-7-12(2)11-6-4-3-5-9(10)11/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$SPLASH: splash10-03di-1900000000-e32f6284b6677e6c2ab0 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 39 1.1 11 43 2.7 27 63 2 20 69 0.32 3 74 1.4 14 77 2.1 21 78 3.4 34 79 0.34 3 80.5 1.8 18 81 1.4 14 88 1.1 11 89 0.25 3 103 1.3 13 104 1.3 13 105 3.5 35 106 0.27 3 115 1.6 16 131 1.1 11 133 6 60 160 0.27 3 161 99.99 999 162 9.5 95 175 1 10 176 4.5 45 177 4.4 44 //