MassBank Record: JP000002



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

ACCESSION: JP000002
RECORD_TITLE: 2,4-DINITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 2,4-DINITROPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H4N2O5 CH$EXACT_MASS: 184.01202 CH$SMILES: [O-1][N+1](=O)c(c1)cc([N+1]([O-1])=O)c(O)c1 CH$IUPAC: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
AC$INSTRUMENT: VARIAN MAT-44 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0w33-9300000000-b1719d21caddddc047cb PK$NUM_PEAK: 64 PK$PEAK: m/z int. rel.int. 51 27.22 272 52 19.9 199 53 61.8 618 54 6.76 68 55 13.95 140 56 3.86 39 57 11.52 115 60 6.43 64 61 13.38 134 62 36.19 362 63 61.37 614 64 26.2 262 65 6.74 67 66 5.1 51 67 7.43 74 68 10.32 103 69 29.16 292 70 5.53 55 71 6.11 61 73 4.14 41 74 3.92 39 75 3.49 35 76 4.33 43 77 6.21 62 78 5.1 51 79 35.07 351 80 9.85 99 81 16 160 82 5.37 54 83 6.13 61 84 2.96 30 85 3 30 90 12.01 120 91 53.25 533 92 28.32 283 93 18.25 183 94 3.51 35 95 6.41 64 96 5.43 54 97 5.12 51 98 2.43 24 105 3.76 38 106 6.35 64 107 38.97 390 108 7.11 71 109 3.98 40 111 2.63 26 120 2.12 21 121 4.45 45 122 4 40 123 3.14 31 126 2.12 21 136 2.77 28 137 3.14 31 138 3.55 36 149 4.12 41 153 4.02 40 154 39.3 393 155 3.16 32 168 3.29 33 183 3.26 33 184 99.99 999 185 8.17 82 186 1.34 13 //