MassBank Record: JP000681



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

ACCESSION: JP000681
RECORD_TITLE: 4'-NITROFLAVANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4'-NITROFLAVANONE CH$NAME: 2-(4-NITROPHENYL)CHROMAN-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H11NO4 CH$EXACT_MASS: 269.06881 CH$SMILES: [O-1][N+1](=O)c(c3)ccc(c3)C(C1)Oc(c2)c(ccc2)C(=O)1 CH$IUPAC: InChI=1S/C15H11NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-8,15H,9H2
AC$INSTRUMENT: JEOL JMS-06-H 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: splash10-0uki-9800000000-275694713c307c72b791 PK$NUM_PEAK: 62 PK$PEAK: m/z int. rel.int. 30 7.5 75 32 3.7 37 37 4.4 44 38 0.83 8 39 28.7 287 40 2.1 21 41 2.7 27 42 0.14 1 43 20.8 208 44 2 20 45 1 10 46 0.12 1 49 1.8 18 50 23.8 238 51 45.8 458 52 0.36 4 53 6.9 69 54 1.5 15 55 1.9 19 57 0.17 2 60.5 1.3 13 61 2.5 25 62 5 50 63 1.16 12 64 6.4 64 65 37 370 66 4.4 44 69 0.25 3 73 1.9 19 74 10.1 101 75 9 90 76 1.34 13 77 42.1 421 78 4.6 46 79 1.3 13 89 0.21 2 90 1.9 19 91 1.7 17 92 9.6 96 93 2.5 25 94 3.4 34 102 1.1 11 103 1 10 104 1.04 10 105 13.9 139 106 2.5 25 107 1.1 11 118 0.14 1 119 3.1 31 120 8.1 81 121 99.99 999 122 0.84 8 135 1.2 12 136 50.5 505 137 4.4 44 147 0.83 8 149 8.3 83 150 37 370 151 41.2 412 152 0.38 4 268 2.2 22 269 4.3 43 //