ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006688
RECORD_TITLE: 4-FORMYL-7-METHOXYCOUMARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 4-FORMYL-7-METHOXYCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H8O4
CH$EXACT_MASS: 204.04226
CH$SMILES: COc(c2)cc(O1)c(c2)C(C=O)=CC(=O)1
CH$IUPAC: InChI=1S/C11H8O4/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-6H,1H3
CH$LINK: INCHIKEY MHZUULROATWSBY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80447237
AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0udi-9650000000-d77eab70bc5cb98307a2
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  41 15 150
  42 6.7 67
  43 15 150
  44 0.45 5
  45 3.8 38
  50 6.5 65
  51 10.3 103
  53 0.28 3
  55 9.5 95
  56 8.9 89
  57 13.7 137
  60 0.25 3
  61 3.1 31
  62 7.1 71
  63 7.5 75
  64 0.26 3
  65 4.5 45
  67 3 30
  69 8.7 87
  70 0.77 8
  71 7.5 75
  73 2.5 25
  74 3.7 37
  75 0.36 4
  76 7.8 78
  77 15.4 154
  78 2.8 28
  81 0.43 4
  83 3.4 34
  84 2.6 26
  85 3.6 36
  86 0.25 3
  87 3.6 36
  88 5.5 55
  89 5.9 59
  90 0.53 5
  91 6.2 62
  97 3.2 32
  98 2.6 26
  99 0.28 3
  101 3.3 33
  104 3 30
  105 6.1 61
  112 0.25 3
  116 3.2 32
  119 8.1 81
  120 10.3 103
  131 0.32 3
  133 6.9 69
  148 41 410
  149 6.7 67
  153 1.4 14
  154 2.8 28
  155 2.6 26
  161 19.6 196
  162 0.32 3
  175 10.4 104
  176 23.5 235
  177 3.3 33
  204 99.99 999
  205 12.8 128
  206 2.4 24
//
