ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004572
RECORD_TITLE: N-METHYLFLINDERSINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-METHYLFLINDERSINE
CH$NAME: 2,2,6-TRIMETHYL-2H-PYRANO(3,2-C)QUINOLIN-5(6H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₅NO₂
CH$EXACT_MASS: 241.11028
CH$SMILES: CC(C)(C=3)OC(=C(C3)1)c(c2)c(ccc2)N(C)C(=O)1
CH$IUPAC: InChI=1S/C15H15NO2/c1-15(2)9-8-11-13(18-15)10-6-4-5-7-12(10)16(3)14(11)17/h4-9H,1-3H3
CH$LINK: INCHIKEY RJZFGBNKPOVCHQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40198374

AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-004i-1090000000-eae38f6a791f6e36dddb
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  39 2.36 24
  43 2.01 20
  51 2.39 24
  63 1.96 20
  64 1.35 14
  65 1.22 12
  76 1.43 14
  77 6.72 67
  78 2.52 25
  79 1.72 17
  91 1.25 13
  92 1.22 12
  128 1.37 14
  132 1.86 19
  134 1.39 14
  154 1.9 19
  183 2.34 23
  184 1.21 12
  198 2.01 20
  200 2.26 23
  211 1.21 12
  212 1.23 12
  224 2.15 22
  225 1.45 15
  226 99.99 999
  227 17.95 180
  228 1.87 19
  240 4.01 40
  241 20.76 208
  242 3.7 37
//