ACCESSION: MSBNK-RIKEN_NPDepo-NGA03371
RECORD_TITLE: lycoperodine I; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Pyrans

CH$NAME: lycoperodine I
CH$COMPOUND_CLASS: Flavonoids
CH$FORMULA: C₁₂H₁₂N₂O₂
CH$EXACT_MASS: 216.2416
CH$SMILES: O=C(O)[C@H]1Cc2c([nH]c3ccccc23)CN1
CH$IUPAC: InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m1/s1
CH$LINK: CAS 42438-90-4
CH$LINK: CHEMSPIDER 395977
CH$LINK: INCHIKEY FSNCEEGOMTYXKY-SNVBAGLBSA-N
CH$LINK: COMPTOX DTXSID80350176
CH$LINK: PUBCHEM CID:675102

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0900000000-7cedd6e3ff8df6e2ff6f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  143.2 1.68 1
  143.3 3.71 3
  143.4 6.9 6
  143.5 10.54 10
  143.6 16.18 16
  143.7 28.37 28
  143.8 49.79 49
  143.9 75.32 75
  144.0 94.29 94
  144.1 100.0 99
  144.2 94.27 94
  144.3 81.17 81
  144.4 61.24 61
  144.5 35.82 35
  144.6 12.23 12
  144.7 0.01 0
  216.7 1.78 1
  216.8 3.29 3
  216.9 5.17 5
  217.0 6.83 6
  217.1 7.86 7
  217.2 8.2 8
  217.3 7.79 7
  217.4 6.41 6
  217.5 4.1 4
//