MassBank Record: NGA01747



 Glycocitridine; 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: NGA01747
RECORD_TITLE: Glycocitridine; 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: Alkaloids derived from anthranilic acid, Quinoline alkaloids

CH$NAME: Glycocitridine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C13H13NO5 CH$EXACT_MASS: 263.25226 CH$SMILES: COc1ccc2c(OC)c(C=O)c(O)nc2c1OC CH$IUPAC: InChI=1S/C13H13NO5/c1-17-9-5-4-7-10(12(9)19-3)14-13(16)8(6-15)11(7)18-2/h4-6H,1-3H3,(H,14,16) CH$LINK: CAS 167504-57-6 CH$LINK: INCHIKEY VWYALKKHDZGUAU-UHFFFAOYSA-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-0090000000-39ab8f458a549225c49d PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 248.7 2.66 2 248.8 4.07 4 248.9 5.51 5 249.0 6.53 6 249.1 7.01 7 249.2 6.9 6 249.3 5.93 5 249.4 4.03 4 249.5 1.8 1 263.2 0.64 0 263.3 2.51 2 263.4 6.12 6 263.5 11.17 11 263.6 18.53 18 263.7 30.66 30 263.8 48.87 48 263.9 70.44 70 264.0 89.38 89 264.1 100.0 99 264.2 98.96 98 264.3 84.95 84 264.4 59.82 59 264.5 30.79 30 264.6 8.04 8 264.7 0.0 0 //