ACCESSION: MSBNK-RIKEN_NPDepo-NGA02690
RECORD_TITLE: Cuscutamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids

CH$NAME: Cuscutamine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₅H₁₄N₂O₃
CH$EXACT_MASS: 270.2904
CH$SMILES: O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C2CCC(=O)N21
CH$IUPAC: InChI=1S/C15H14N2O3/c18-13-6-5-11-14-9(7-12(15(19)20)17(11)13)8-3-1-2-4-10(8)16-14/h1-4,11-12,16H,5-7H2,(H,19,20)/t11?,12-/m0/s1
CH$LINK: INCHIKEY NVWTUEWEKRBVPS-KIYNQFGBSA-N
CH$LINK: PUBCHEM CID:16407200

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$SPLASH: splash10-004i-0090000000-3dcf7c0633815fafaa10
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  224.3 1.2 1
  224.4 3.93 3
  224.5 9.53 9
  224.6 18.8 18
  224.7 32.82 32
  224.8 51.96 51
  224.9 73.41 73
  225.0 91.14 91
  225.1 100.0 99
  225.2 98.87 98
  225.3 88.18 88
  225.4 67.65 67
  225.5 40.05 40
  225.6 14.22 14
  225.7 0.29 0
//