ACCESSION: MSBNK-RIKEN_NPDepo-NGA01045
RECORD_TITLE: Cryptopine; 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 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$SPLASH: splash10-00di-0009000000-6612b245bef6d03eb8ce
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  369.3 1.01 1
  369.4 2.64 2
  369.5 5.16 5
  369.6 9.29 9
  369.7 17.19 17
  369.8 31.37 31
  369.9 51.7 51
  370.0 73.79 73
  370.1 91.33 91
  370.2 100.0 99
  370.3 98.11 98
  370.4 84.52 84
  370.5 59.86 59
  370.6 30.6 30
  370.7 7.67 7
  370.8 0.0 0
//