ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C20H13NO7/c22-16-11-19(18-2-1-9-26-18)28-17-8-7-14(10-15(16)17)27-20(23)12-3-5-13(6-4-12)21(24)25/h1-10,19H,11H2
CH$LINK: INCHIKEY UJOGVGBLSNNPKE-UHFFFAOYSA-N
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
//
