MassBank Record: JP000442



 5-HYDROXY-1,2-DIMETHYL-6-NITROINNOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000442
RECORD_TITLE: 5-HYDROXY-1,2-DIMETHYL-6-NITROINNOLE; 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$NAME: 5-HYDROXY-1,2-DIMETHYL-6-NITROINNOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10N2O3 CH$EXACT_MASS: 206.06914 CH$SMILES: [O-1][N+1](=O)c(c1)c(O)cc(c2)c1n(C)c(C)2 CH$IUPAC: InChI=1S/C10H10N2O3/c1-6-3-7-4-10(13)9(12(14)15)5-8(7)11(6)2/h3-5,13H,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$SPLASH: splash10-0a4i-9530000000-9e5fedb869803f6f9e35 PK$NUM_PEAK: 86 PK$PEAK: m/z int. rel.int. 39 19.5 195 40 1.6 16 41 12.4 124 42 1.24 12 43 19.5 195 44 2.4 24 45 10.5 105 50 0.31 3 51 7.8 78 52 3.3 33 53 7.2 72 54 0.25 3 55 15 150 56 20.6 206 57 22.1 221 60 0.38 4 62 1.7 17 63 13.4 134 64 5.5 55 65 0.64 6 66 6 60 67 5.5 55 68 2.8 28 69 2.44 24 70 3.3 33 71 11 110 74 1.1 11 75 0.33 3 76 3.3 33 77 18.4 184 78 9.4 94 79 0.4 4 80 1.5 15 81 10.5 105 82 3.2 32 83 0.78 8 84 1.6 16 85 5.5 55 88 1.4 14 89 1.9 19 90 16.5 165 91 11 110 92 2.5 25 93 0.2 2 95 5 50 96 1.6 16 97 6 60 98 0.1 1 99 1.1 11 102 2.3 23 103 8.8 88 104 0.55 6 105 3.3 33 106 1.3 13 107 1.2 12 109 0.29 3 111 3.2 32 115 1.6 16 116 11.6 116 117 1.4 14 118 5.5 55 119 2.1 21 123 1.8 18 125 0.14 1 129 3.7 37 130 26 260 131 37.2 372 132 3.7 37 133 6.6 66 137 1.5 15 144 1.1 11 145 4.3 43 146 4 40 147 2.1 21 148 12 120 149 0.3 3 150 1.1 11 159 3.9 39 160 4.2 42 161 0.76 8 173 5 50 176 11 110 189 2 20 205 0.28 3 206 99.99 999 207 12 120 //