ACCESSION: MSBNK-RIKEN_NPDepo-NGA01081
RECORD_TITLE: Songorine; 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$NAME: Songorine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₂H₃₁NO₃
CH$EXACT_MASS: 357.4973
CH$SMILES: C=C1[C@H]2C[C@]3(C4C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@]5(C4N(CC)C6)[C@@H]3CC2=O)[C@@H]1O
CH$IUPAC: InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13?,15-,16-,17+,18?,19-,20+,21-,22+/m1/s1
CH$LINK: CAS 509-24-0
CH$LINK: CHEMSPIDER 16736029
CH$LINK: INCHIKEY CBOSLVQFGANWTL-NQZGNCTHSA-N

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$SPLASH: splash10-0a4i-0009000000-291fb92d15cfdd13da70
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  357.4 0.74 0
  357.5 2.5 2
  357.6 5.68 5
  357.7 11.12 11
  357.8 21.16 21
  357.9 38.09 38
  358.0 60.38 60
  358.1 81.8 81
  358.2 95.93 95
  358.3 100.0 99
  358.4 93.15 93
  358.5 74.32 74
  358.6 46.15 46
  358.7 18.2 18
  358.8 1.11 1
//