ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009767
RECORD_TITLE: 7-((E-3-FORMYL-2-BUTENYL)OXY)-2H-1-BENZOPYRAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 7-((E-3-FORMYL-2-BUTENYL)OXY)-2H-1-BENZOPYRAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂O₄
CH$EXACT_MASS: 244.07356
CH$SMILES: O=CC(C)=CCOc(c1)cc(O2)c(C=CC(=O)2)c1
CH$IUPAC: InChI=1S/C14H12O4/c1-10(9-15)6-7-17-12-4-2-11-3-5-14(16)18-13(11)8-12/h2-6,8-9H,7H2,1H3/b10-6+
CH$LINK: INCHIKEY BOEYBMJEVSXRSZ-UXBLZVDNSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-01q9-9820000000-c760f1879f411dbd7c41
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  38 2.28 23
  39 18.34 183
  41 5.93 59
  43 14.54 145
  44 1.62 16
  45 2.21 22
  50 4.54 45
  51 16.16 162
  52 3.29 33
  53 11.33 113
  54 5.96 60
  55 50.25 503
  56 3.04 30
  57 2.01 20
  58 2.65 27
  59 1.91 19
  61 1.62 16
  62 2.99 30
  63 9.05 91
  64 0.26 3
  65 4.17 42
  67 2.13 21
  69 8.26 83
  76 2.01 20
  77 11.72 117
  78 9.02 90
  79 2.97 30
  81 3.41 34
  82 9.91 99
  83 43.26 433
  84 3.87 39
  85 1.91 19
  89 8.09 81
  91 2.21 22
  105 9.47 95
  106 3.78 38
  123 2.04 20
  133 4.02 40
  134 82.34 823
  135 8.29 83
  145 1.74 17
  159 2.35 24
  162 99.99 999
  163 14.25 143
  173 5.59 56
  175 2.77 28
  187 15.96 160
  188 2.16 22
  199 3.31 33
  201 1.82 18
  215 19.42 194
  216 4.02 40
  227 2.13 21
  229 1.99 20
  244 36.86 369
  245 6.28 63
//