MassBank Record: NGA00073



 Narcotine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00073
RECORD_TITLE: Narcotine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Morphine alkaloids

CH$NAME: Narcotine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C22H23NO7 CH$EXACT_MASS: 413.4311100000001 CH$SMILES: COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C CH$IUPAC: InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18-/m1/s1 CH$LINK: CAS 6035-40-1 CH$LINK: PUBCHEM CID:242139 CH$LINK: INCHIKEY AKNNEGZIBPJZJG-QZTJIDSGSA-N
AC$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$SPLASH: splash10-00di-0091000000-7f9e372dc540b70d6e5a PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 178.7 2.48 2 178.8 4.22 4 178.9 6.1 6 179.0 7.45 7 179.1 7.93 7 179.2 7.58 7 179.3 6.5 6 179.4 4.69 4 179.5 2.48 2 219.2 2.05 2 219.3 3.61 3 219.4 6.29 6 219.5 9.99 9 219.6 16.03 16 219.7 27.59 27 219.8 46.56 46 219.9 69.75 69 220.0 89.74 89 220.1 100.0 99 220.2 98.37 98 220.3 85.68 85 220.4 63.85 63 220.5 37.41 37 220.6 14.14 14 220.7 1.34 1 352.6 2.99 2 352.7 4.99 4 352.8 8.69 8 352.9 13.33 13 353.0 17.42 17 353.1 19.66 19 353.2 19.53 19 353.3 16.91 16 353.4 12.05 12 353.5 6.25 6 353.6 1.59 1 //