ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000630
RECORD_TITLE: 7-ACETOXY-3-METHYLFLAVANONE; 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$NAME: 7-ACETOXY-3-METHYLFLAVANONE
CH$NAME: 7-ACETOXY-3-METHYL-2-PHENYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₆O₄
CH$EXACT_MASS: 296.10486
CH$SMILES: CC(=O)Oc(c3)cc(O1)c(c3)C(=O)C(C)C(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C18H16O4/c1-11-17(20)15-9-8-14(21-12(2)19)10-16(15)22-18(11)13-6-4-3-5-7-13/h3-11,18H,1-2H3
CH$LINK: INCHIKEY VFEOZVUQKFQCPV-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$SPLASH: splash10-014i-5920000000-2016ce96775f41436ec4
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  18 56.4 564
  27 2.2 22
  28 51 510
  29 0.11 1
  32 12.9 129
  39 5 50
  41 1.8 18
  42 0.15 2
  43 36 360
  44 2 20
  51 7.2 72
  52 0.27 3
  53 1.4 14
  57 1.5 15
  63 8.6 86
  65 0.55 6
  69 3.8 38
  77 6.5 65
  78 3 30
  79 0.31 3
  80 1.9 19
  81 1.4 14
  89 1.4 14
  91 2.31 23
  92 2.5 25
  95 1.4 14
  103 3.6 36
  105 0.25 3
  107 3 30
  108 10.1 101
  115 12.5 125
  116 0.37 4
  117 46.2 462
  118 99.99 999
  119 11.5 115
  136 3.68 37
  137 53.8 538
  138 4.1 41
  147 4.5 45
  148 0.21 2
  149 10.9 109
  163 2.6 26
  177 43.6 436
  178 0.62 6
  179 5.1 51
  197 2.6 26
  219 4 40
  239 1.67 17
  240 2.1 21
  253 7 70
  254 43.6 436
  255 0.72 7
  296 40.2 402
  297 6.8 68
//