ACCESSION: MSBNK-RIKEN_NPDepo-NGA01492
RECORD_TITLE: Talatizamine; 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
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$SPLASH: splash10-00di-0002900000-703167117210a6647784
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  389.6 2.03 2
  389.7 3.56 3
  389.8 5.8 5
  389.9 9.28 9
  390.0 14.19 14
  390.1 19.8 19
  390.2 24.55 24
  390.3 26.74 26
  390.4 25.19 25
  390.5 19.89 19
  390.6 12.32 12
  390.7 5.11 5
  390.8 0.62 0
  421.4 1.04 1
  421.5 2.99 2
  421.6 6.41 6
  421.7 11.38 11
  421.8 19.19 19
  421.9 32.39 32
  422.0 51.94 51
  422.1 74.18 74
  422.2 92.2 92
  422.3 100.0 99
  422.4 94.42 94
  422.5 75.19 75
  422.6 46.78 46
  422.7 19.01 18
  422.8 1.41 1
//