MassBank Record: JP000450



 3-ACETYL-1-METHYL-6-NITROINDOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000450
RECORD_TITLE: 3-ACETYL-1-METHYL-6-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$NAME: 3-ACETYL-1-METHYL-6-NITROINDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H10N2O3 CH$EXACT_MASS: 218.06914 CH$SMILES: [O-1][N+1](=O)c(c2)cc(n(C)1)c(c2)c(C(C)=O)c1 CH$IUPAC: InChI=1S/C11H10N2O3/c1-7(14)10-6-12(2)11-5-8(13(15)16)3-4-9(10)11/h3-6H,1-2H3
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$SPLASH: splash10-0udi-9290000000-7efdeacbe342ae563798 PK$NUM_PEAK: 59 PK$PEAK: m/z int. rel.int. 41 10.8 108 42 4.5 45 43 31 310 44 0.42 4 51 2.3 23 54 1.3 13 55 15 150 56 0.35 4 57 18 180 60 4.5 45 61 1.2 12 62 0.13 1 63 1.7 17 67 3.2 32 68 1.8 18 69 1.2 12 70 2.5 25 71 6.8 68 73 5.2 52 75 0.17 2 76 2 20 77 4.3 43 78 1 10 79 0.15 2 81 3.8 38 82 2.7 27 83 6.7 67 84 0.27 3 85 3.3 33 87 2.8 28 88 1.3 13 89 0.12 1 90 1 10 95 2.5 25 96 2.3 23 97 0.48 5 98 2 20 101 2.3 23 102 7.3 73 103 0.25 3 109 1.3 13 114 2 20 115 2.2 22 116 0.12 1 123 1 10 127 1 10 128 4.2 42 129 0.43 4 130 1 10 143 1.5 15 145 3.7 37 157 7.73 77 158 9.7 97 172 1.2 12 173 2.2 22 203 99.99 999 204 6.3 63 218 38.7 387 219 3.8 38 //