ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008838
RECORD_TITLE: 7-(3-METHYL-2-BUTENYLOXY)COUMARIN; 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$NAME: 7-(3-METHYL-2-BUTENYLOXY)COUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₄O₃
CH$EXACT_MASS: 230.09429
CH$SMILES: CC(C)=CCOc(c1)cc(O2)c(C=CC(=O)2)c1
CH$IUPAC: InChI=1S/C14H14O3/c1-10(2)7-8-16-12-5-3-11-4-6-14(15)17-13(11)9-12/h3-7,9H,8H2,1-2H3
CH$LINK: INCHIKEY SMHJTSOVVRGDEO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50313213

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$SPLASH: splash10-02t9-9500000000-6962d0cb1e7a78d48dfe
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  38 4.82 48
  39 27.06 271
  41 68.91 689
  42 0.83 8
  44 2.11 21
  50 6.52 65
  51 13.7 137
  52 5.03 50
  53 30.2 302
  54 2.36 24
  55 1.99 20
  62 2.81 28
  63 7.47 75
  64 2.75 28
  65 6.08 61
  66 2.28 23
  67 43.13 431
  68 33.74 337
  69 62.47 625
  70 3.37 34
  77 8.71 87
  78 9.12 91
  79 2.13 21
  89 3.85 39
  105 10.55 106
  106 3.21 32
  133 3.46 35
  134 55.13 551
  135 4.49 45
  155 3.04 30
  161 2.05 21
  162 99.99 999
  163 10.7 107
  164 2.32 23
  175 2.71 27
  213 3.62 36
  230 5.34 53
//