MassBank Record: JP004304



 1,2,3-TRIMETHYLINDOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004304
RECORD_TITLE: 1,2,3-TRIMETHYLINDOLE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SASAKI STOYOHASHI UNIV. OF TECH., TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,3-TRIMETHYLINDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H13N CH$EXACT_MASS: 159.10480 CH$SMILES: Cc(c(C)1)n(C)c(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C11H13N/c1-8-9(2)12(3)11-7-5-4-6-10(8)11/h4-7H,1-3H3 CH$LINK: CAS 1971-46-6 CH$LINK: INCHIKEY NRRVOLSTQHJDEG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50173374
AC$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: splash10-0a4i-2900000000-dc6e210046d436a08fac PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 26 1.2 12 27 3.5 35 39 5.1 51 41 0.27 3 42 2.2 22 43 1.1 11 50 1.7 17 51 0.57 6 52 1.7 17 53 1.5 15 55 1.4 14 63 0.35 4 64 1.5 15 65 3.2 32 71.5 2 20 72 0.23 2 75 3.2 32 76 4.2 42 77 11.8 118 78 0.23 2 78.5 6.1 61 79 2.4 24 79.5 7.3 73 80 0.12 1 89 4 40 90 1.7 17 91 5.7 57 101 0.26 3 102 6.9 69 103 4.4 44 104 1.2 12 115 1.75 18 116 7.1 71 117 6.1 61 118 1.6 16 127 0.28 3 128 9 90 129 5.3 53 130 4.1 41 131 0.15 2 140 1.6 16 141 1.4 14 142 7.6 76 143 2.05 21 144 56.8 568 145 7.3 73 154 1.5 15 156 0.56 6 157 7.1 71 158 99.99 999 159 87.5 875 160 10.8 108 //

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