ACCESSION: MSBNK-RIKEN_NPDepo-NGA03369
RECORD_TITLE: lycoperodine I; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-0006-0900000000-80ecbcf7e37411069404
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  73.7 2.93 2
  73.8 4.41 4
  73.9 6.12 6
  74.0 7.52 7
  74.1 7.98 7
  74.2 7.2 7
  74.3 5.38 5
  74.4 3.14 3
  142.6 2.29 2
  142.7 3.46 3
  142.8 4.75 4
  142.9 6.25 6
  143.0 7.69 7
  143.1 8.58 8
  143.2 9.07 9
  143.3 9.96 9
  143.4 11.43 11
  143.5 13.48 13
  143.6 18.17 18
  143.7 29.47 29
  143.8 49.08 49
  143.9 72.61 72
  144.0 91.62 91
  144.1 100.0 99
  144.2 97.03 96
  144.3 83.97 83
  144.4 61.55 61
  144.5 33.73 33
  144.6 9.73 9
  144.7 0.0 0
//