ACCESSION: MSBNK-RIKEN_NPDepo-NGA01640
RECORD_TITLE: Convolamine; 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 ornithine, Tropane alkaloids

CH$NAME: Convolamine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₇H₂₃NO₄
CH$EXACT_MASS: 305.3772
CH$SMILES: COc1ccc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1OC
CH$IUPAC: InChI=1S/C17H23NO4/c1-18-12-5-6-13(18)10-14(9-12)22-17(19)11-4-7-15(20-2)16(8-11)21-3/h4,7-8,12-14H,5-6,9-10H2,1-3H3/t12-,13+,14+
CH$LINK: CAS 500-56-1
CH$LINK: CHEMSPIDER 372165
CH$LINK: INCHIKEY AEFPCFUCFQBXDQ-WDNDVIMCSA-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$SPLASH: splash10-0a4i-0009000000-1b97aa433885c7b6c54c
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  305.3 0.72 0
  305.4 2.63 2
  305.5 5.56 5
  305.6 9.63 9
  305.7 16.61 16
  305.8 29.49 29
  305.9 49.27 49
  306.0 72.13 72
  306.1 90.97 90
  306.2 100.0 99
  306.3 96.64 96
  306.4 80.42 80
  306.5 54.0 53
  306.6 25.48 25
  306.7 5.0 4
  306.8 0.0 0
//