MassBank Record: JP000432



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

ACCESSION: JP000432
RECORD_TITLE: 3-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$NAME: 3-METHYL-5-NITROINDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H8N2O2 CH$EXACT_MASS: 176.05858 CH$SMILES: [O-1][N+1](=O)c(c1)cc(c(C)2)c(nc2)c1 CH$IUPAC: InChI=1S/C9H8N2O2/c1-6-5-10-9-3-2-7(11(12)13)4-8(6)9/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$SPLASH: splash10-004i-7900000000-88264a401cf4ed02c60f PK$NUM_PEAK: 59 PK$PEAK: m/z int. rel.int. 41 17.4 174 42 1.9 19 43 17.4 174 44 0.1 1 45 4.4 44 50 2.8 28 51 9.7 97 52 0.38 4 53 1.6 16 54 1.2 12 55 14 140 56 0.32 3 57 17.2 172 60 7.2 72 61 1.6 16 62 0.11 1 63 4 40 64 1.1 11 65 1.7 17 67 0.26 3 68 2.5 25 69 28 280 70 3.1 31 71 0.72 7 73 9.3 93 74 2.7 27 75 4.4 44 76 0.48 5 77 28.8 288 78 2.8 28 81 9.6 96 82 0.2 2 83 4.8 48 84 1.9 19 85 3.1 31 87 0.14 1 88 1 10 91 1.7 17 95 2.5 25 96 0.12 1 97 3 30 98 1.5 15 101 3.2 32 102 1.04 10 103 30 300 104 2 20 111 1.2 12 115 0.11 1 117 1.2 12 118 6.4 64 128 8.8 88 129 2.48 25 130 71.8 718 131 4.4 44 137 1.2 12 146 0.24 2 175 16 160 176 99.99 999 177 8.8 88 //