MassBank Record: JP000710



 2-(ALPHA-FURYL)-6-HYDROXYCHROMANONE PARA-NITROBENZOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000710
RECORD_TITLE: 2-(ALPHA-FURYL)-6-HYDROXYCHROMANONE PARA-NITROBENZOATE; 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$NAME: 2-(ALPHA-FURYL)-6-HYDROXYCHROMANONE PARA-NITROBENZOATE CH$NAME: 2-(2-FURYL)-4-OXOCHROMAN-6-YL PARA-NITROBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H13NO7 CH$EXACT_MASS: 379.06920 CH$SMILES: [O-1][N+1](=O)c(c4)ccc(c4)C(=O)Oc(c3)cc(C(=O)2)c(c3)OC(C2)c(c1)occ1 CH$IUPAC: InChI=1S/C20H13NO7/c22-16-11-19(18-2-1-9-26-18)28-17-8-7-14(10-15(16)17)27-20(23)12-3-5-13(6-4-12)21(24)25/h1-10,19H,11H2
AC$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: splash10-0kmu-9500000000-cbb107f83b3cf5a72ded PK$NUM_PEAK: 72 PK$PEAK: m/z int. rel.int. 32 15.9 159 39 13.7 137 41 18.2 182 42 0.38 4 43 44.7 447 44 8.4 84 50 6.1 61 51 0.66 7 52 4.3 43 53 6.4 64 55 27.5 275 56 1.37 14 57 75 750 58 2.2 22 63 3.8 38 64 0.22 2 65 20 200 66 5.4 54 67 5 50 68 0.34 3 69 24.9 249 70 11.3 113 71 46.1 461 74 0.21 2 75 4.5 45 76 16.8 168 77 3.7 37 79 0.66 7 80 2.5 25 81 9.9 99 82 9.1 91 83 2.36 24 84 6.1 61 85 34.2 342 91 2.5 25 92 1.59 16 93 2.9 29 94 29.1 291 95 6.4 64 96 0.63 6 97 23.9 239 98 4.2 42 99 9.3 93 104 3.33 33 105 4.2 42 107 9.2 92 108 4.2 42 109 0.33 3 111 10.5 105 112 2.6 26 113 5.9 59 115 0.25 3 119 5.8 58 120 64.5 645 121 12.1 121 125 0.45 5 127 4.2 42 131 5 50 134 5.4 54 135 2.33 23 136 33.2 332 137 6.3 63 141 2.6 26 149 1.97 20 150 99.99 999 151 15.7 157 201 7.6 76 229 0.86 9 230 14.5 145 231 2.4 24 378.5 26.1 261 379 5 50 //