MassBank Record: JP001625



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

ACCESSION: JP001625
RECORD_TITLE: 1-NITROANTHRAQUINONE; 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$NAME: 1-NITROANTHRAQUINONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H7NO4 CH$EXACT_MASS: 253.03751 CH$SMILES: [O-1][N+1](=O)c(c3)c(c(=O)1)c(cc3)c(=O)c(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C14H7NO4/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18)19/h1-7H
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$SPLASH: splash10-0zgi-5950000000-211963c93322a9c6bae9 PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 41 1.58 16 43 2.19 22 49 1.28 13 50 23.84 238 51 5.14 51 53 2.19 22 55 1.28 13 57 1.21 12 61 1.21 12 62 3.86 39 63 13.32 133 69 3.1 31 73 2.72 27 74 12.03 120 75 23.69 237 76 43.83 438 77 7.26 73 81 1.13 11 86 1.96 20 87 2.42 24 90 7.04 70 98 2.8 28 99 2.95 30 100 1.21 12 101 1.28 13 102 1.51 15 104 1.81 18 125 3.7 37 126 5.6 56 139 4.92 49 149 2.42 24 150 24.6 246 151 49.65 497 152 45.95 460 167 3.02 30 179 12.11 121 180 88.11 881 181 13.39 134 182 1.05 11 195 6.05 61 196 1.05 11 206 2.57 26 207 24.9 249 208 99.99 999 209 15.21 152 210 1.43 14 236 1.28 13 244 4.46 45 253 18.39 184 254 2.8 28 //