MassBank Record: JP003285



 N,N-DIETHYL-2,4-DINITROBENZENAMINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003285
RECORD_TITLE: N,N-DIETHYL-2,4-DINITROBENZENAMINE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: KOGA MUNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: N,N-DIETHYL-2,4-DINITROBENZENAMINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H13N3O4 CH$EXACT_MASS: 239.09061 CH$SMILES: CCN(CC)c(c1)c([N+1]([O-1])=O)cc([N+1]([O-1])=O)c1 CH$IUPAC: InChI=1S/C10H13N3O4/c1-3-11(4-2)9-6-5-8(12(14)15)7-10(9)13(16)17/h5-7H,3-4H2,1-2H3 CH$LINK: INCHIKEY RAYYZJTYTUPECK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70232533
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00dm-6930000000-7764b7508accc1b02f9e PK$NUM_PEAK: 102 PK$PEAK: m/z int. rel.int. 41 2.1 21 42 2.4 24 44 99.99 999 45 3.7 37 50 6 60 51 9.8 98 52 8.5 85 53 5.2 52 54 3.6 36 55 3.8 38 56 13.4 134 57 2.1 21 62 4.6 46 63 13.2 132 64 6.2 62 65 12.7 127 66 4.2 42 68 2.2 22 70 2.6 26 74 4.1 41 75 7.7 77 76 12.9 129 77 19 190 78 15.6 156 79 5.6 56 80 3.8 38 81 2 20 82 2.3 23 83 2.5 25 84 2.4 24 89 6.9 69 90 8.7 87 91 15.5 155 92 12.5 125 93 6.3 63 95 2.2 22 103 9.6 96 104 14.4 144 105 5.8 58 106 6.4 64 107 3.6 36 108 5.4 54 109 1.8 18 110 1.9 19 115 2.1 21 116 2.7 27 117 17.5 175 118 12.7 127 119 13 130 120 12.9 129 121 6.2 62 122 11.3 113 123 2 20 128 2 20 130 5.1 51 131 9.1 91 132 18.9 189 133 5.1 51 134 11 110 135 4 40 136 3 30 137 2.4 24 138 6.8 68 141 1.5 15 145 5.2 52 146 8.3 83 147 7.1 71 148 4.3 43 149 18.6 186 150 27.5 275 151 4 40 161 2.3 23 163 4.3 43 164 35.6 356 165 7.2 72 166 11.4 114 168 2 20 175 4.7 47 176 5.5 55 177 7.8 78 178 12.2 122 179 6.1 61 180 12.8 128 181 2.6 26 190 2.6 26 191 6.8 68 192 10.9 109 193 3.7 37 194 2.6 26 196 43.5 435 197 5.9 59 206 2.5 25 207 3.7 37 209 2.1 21 210 2.4 24 211 3.3 33 222 57 570 223 7.1 71 224 67.1 671 225 7.1 71 239 8 80 240 1.6 16 //

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