ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007958
RECORD_TITLE: 1-CARBOMETHOXY-4-FORMYLAZULENE; 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$NAME: 1-CARBOMETHOXY-4-FORMYLAZULENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10O3
CH$EXACT_MASS: 214.06299
CH$SMILES: COC(=O)C(C=2)=C(C=1)C(C2)=C(C=O)C=CC1
CH$IUPAC: InChI=1S/C13H10O3/c1-16-13(15)12-7-6-10-9(8-14)4-2-3-5-11(10)12/h2-8H,1H3
CH$LINK: INCHIKEY JGADTJRHGIFPNG-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-08gr-0930000000-a8dbec41e400d3f32ebb
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  31 1.4 14
  41 1.6 16
  43 1.8 18
  50 0.11 1
  51 1.5 15
  74 2 20
  75 2.5 25
  76 0.19 2
  77 3.4 34
  99 0.9 9
  101 2 20
  114 0.09 1
  115 2.1 21
  126 7.5 75
  127 13.1 131
  141 0.21 2
  143 2.4 24
  154 9.4 94
  155 96.3 963
  156 1.17 12
  170 4 40
  171 15 150
  183 94.4 944
  184 1.25 13
  186 56.3 563
  187 7.4 74
  214 99.99 999
  215 14.3 143
//
