MassBank Record: NGA00075



 Narcotine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00075
RECORD_TITLE: Narcotine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-03di-0030900000-e230f193c2ec120c89b6 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 219.4 2.45 2 219.5 3.76 3 219.6 5.67 5 219.7 9.59 9 219.8 16.54 16 219.9 25.26 25 220.0 32.57 32 220.1 36.03 35 220.2 35.56 35 220.3 31.97 31 220.4 25.3 25 220.5 16.02 16 220.6 6.74 6 220.7 0.68 0 413.2 0.94 0 413.3 2.53 2 413.4 4.92 4 413.5 7.94 7 413.6 12.77 12 413.7 22.48 22 413.8 39.4 39 413.9 61.6 61 414.0 83.01 82 414.1 97.19 97 414.2 100.0 99 414.3 89.44 89 414.4 66.49 66 414.5 37.56 37 414.6 12.87 12 414.7 0.72 0 //