MassBank Record: JP000431



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

ACCESSION: JP000431
RECORD_TITLE: 2-METHYL-5-NITROINDOLE; 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$NAME: 2-METHYL-5-NITROINDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H8N2O2 CH$EXACT_MASS: 176.05858 CH$SMILES: [O-1][N+1](=O)c(c2)cc(c1)c(c2)nc(C)1 CH$IUPAC: InChI=1S/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3
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$SPLASH: splash10-00pi-9600000000-8d51855acc0f7c86f575 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 45 8.7 87 55 33.3 333 56 9.7 97 57 6.17 62 60 23.6 236 61 3.5 35 67 6.3 63 68 0.52 5 69 80.2 802 70 9.4 94 71 33.3 333 73 3.44 34 77 12.2 122 81 27.7 277 82 8 80 83 2.43 24 84 8.3 83 85 13.2 132 87 3.1 31 95 0.97 10 96 5.9 59 97 17.7 177 98 6.3 63 102 0.31 3 103 23.6 236 109 3.8 38 111 5.6 56 118 0.38 4 123 3.1 31 129 12.8 128 130 66.7 667 131 0.35 4 137 3.1 31 146 5.9 59 176 99.99 999 177 13.5 135 //