ACCESSION: MSBNK-RIKEN_NPDepo-NGA01489
RECORD_TITLE: Talatizamine; 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: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid

CH$NAME: Talatizamine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₄H₃₉NO₅
CH$EXACT_MASS: 421.5821
CH$SMILES: CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6O)[C@@H](CC23)C14
CH$IUPAC: InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14?,15+,16+,17?,18+,19?,20+,21?,22+,23+,24-/m1/s1
CH$LINK: CAS 20501-56-8
CH$LINK: CHEMSPIDER 390361 140575
CH$LINK: INCHIKEY BDCURAWBZJMFIK-SAXGWMFCSA-N
CH$LINK: PUBCHEM CID:16394640

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$SPLASH: splash10-00di-0000900000-90af9fc74512355ae8e4
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  421.4 1.12 1
  421.5 2.84 2
  421.6 6.11 6
  421.7 11.9 11
  421.8 22.07 22
  421.9 38.05 38
  422.0 58.42 58
  422.1 78.57 78
  422.2 93.44 93
  422.3 100.0 99
  422.4 96.57 96
  422.5 81.7 81
  422.6 56.54 56
  422.7 28.11 28
  422.8 6.45 6
  422.9 0.0 0
//