ACCESSION: MSBNK-RIKEN_NPDepo-NGA02692
RECORD_TITLE: Cuscutamine; 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
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$SPLASH: splash10-004i-0090000000-edfdcd38c8c26b2e0024
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  224.3 0.86 0
  224.4 3.31 3
  224.5 8.98 8
  224.6 18.77 18
  224.7 33.55 33
  224.8 53.17 53
  224.9 74.55 74
  225.0 91.78 91
  225.1 100.0 99
  225.2 98.7 98
  225.3 89.31 89
  225.4 71.59 71
  225.5 46.3 46
  225.6 20.07 20
  225.7 2.24 2
  270.4 1.57 1
  270.5 3.42 3
  270.6 6.04 6
  270.7 9.64 9
  270.8 14.49 14
  270.9 20.13 20
  271.0 25.12 25
  271.1 28.15 28
  271.2 28.75 28
  271.3 26.44 26
  271.4 20.51 20
  271.5 11.86 11
  271.6 3.81 3
//