ACCESSION: MSBNK-RIKEN_NPDepo-NGA03372
RECORD_TITLE: lycoperodine I; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-0006-0950000000-d609ed6572f38b2a952a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  143.2 1.0 0
  143.3 3.13 3
  143.4 6.93 6
  143.5 12.21 12
  143.6 20.0 19
  143.7 33.01 32
  143.8 52.49 52
  143.9 74.41 74
  144.0 91.63 91
  144.1 100.0 99
  144.2 99.5 99
  144.3 89.17 89
  144.4 67.02 66
  144.5 37.11 37
  144.6 10.95 10
  144.7 0.0 0
  216.3 1.8 1
  216.4 3.63 3
  216.5 5.39 5
  216.6 8.02 8
  216.7 14.26 14
  216.8 25.9 25
  216.9 40.5 40
  217.0 52.51 52
  217.1 58.25 58
  217.2 58.21 58
  217.3 53.55 53
  217.4 43.15 43
  217.5 27.04 27
  217.6 10.34 10
  217.7 0.15 0
//