ACCESSION: MSBNK-RIKEN_NPDepo-NGA01046
RECORD_TITLE: Cryptopine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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 anthranilic acid, Cryptolepine-type alkaloids

CH$NAME: Cryptopine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₁H₂₃NO₅
CH$EXACT_MASS: 369.4212
CH$SMILES: COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CN(C)CC2)OCO3
CH$IUPAC: InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3
CH$LINK: CAS 482-74-6
CH$LINK: CHEMSPIDER 65491
CH$LINK: INCHIKEY XPOJSWHIKCNLEQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40197463
CH$LINK: PUBCHEM CID:72616

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$SPLASH: splash10-00di-0009000000-850c04789c0a797476ee
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  369.3 0.63 0
  369.4 2.38 2
  369.5 5.43 5
  369.6 10.37 10
  369.7 19.13 19
  369.8 33.87 33
  369.9 54.21 54
  370.0 75.75 75
  370.1 92.45 92
  370.2 100.0 99
  370.3 96.23 96
  370.4 79.92 79
  370.5 53.16 53
  370.6 24.28 24
  370.7 3.93 3
//