MassBank Record: JP000451



 1-ACETYL-2-METHYL-6-NITROINDOLIZINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000451
RECORD_TITLE: 1-ACETYL-2-METHYL-6-NITROINDOLIZINE; 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$NAME: 1-ACETYL-2-METHYL-6-NITROINDOLIZINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H10N2O3 CH$EXACT_MASS: 218.06914 CH$SMILES: [O-1][N+1](=O)C(C([H])=2)=C([H])n(c([H])1)c(C([H])2)c(C(C)=O)c(C)1 CH$IUPAC: InChI=1S/C11H10N2O3/c1-7-5-12-6-9(13(15)16)3-4-10(12)11(7)8(2)14/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$SPLASH: splash10-0gb9-7590000000-cd81e16dd157c6bb6028 PK$NUM_PEAK: 62 PK$PEAK: m/z int. rel.int. 41 10.7 107 42 1.2 12 43 28.1 281 44 0.41 4 45 7.3 73 50 2.6 26 51 7.3 73 52 0.28 3 53 1.3 13 55 10.1 101 56 2.4 24 57 1.74 17 60 5.1 51 63 3.1 31 65 1.4 14 68 0.16 2 69 23.1 231 70 2.3 23 71 8.4 84 73 0.5 5 75 1.8 18 76 3.7 37 77 11.3 113 78 0.79 8 79 1.2 12 81 7.3 73 82 1.5 15 83 0.42 4 84 1.4 14 85 3.9 39 89 1.2 12 91 0.16 2 95 2 20 97 3.3 33 101 2.3 23 102 0.84 8 103 4.3 43 107 6.2 62 109 1.1 11 111 0.12 1 115 2.3 23 116 1 10 117 2.8 28 128 0.59 6 129 10.7 107 130 4.6 46 136 5.1 51 137 0.14 1 142 2.8 28 143 4.6 46 144 3.5 35 145 0.13 1 149 1.6 16 157 46.7 467 158 2.1 21 171 0.29 3 172 8.4 84 173 1.4 14 203 87.5 875 204 0.52 5 218 99.99 999 219 7.3 73 //