MassBank Record: NGA01746



 Glycocitridine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01746
RECORD_TITLE: Glycocitridine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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-0090000000-49991afa5ef652d47f15 PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 219.5 2.88 2 219.6 4.69 4 219.7 7.48 7 219.8 10.85 10 219.9 14.37 14 220.0 17.57 17 220.1 19.7 19 220.2 19.68 19 220.3 16.78 16 220.4 11.45 11 220.5 5.58 5 220.6 1.4 1 233.4 2.3 2 233.5 4.04 4 233.6 6.96 6 233.7 11.69 11 233.8 18.23 18 233.9 25.05 25 234.0 29.79 29 234.1 30.87 30 234.2 28.0 27 234.3 21.55 21 234.4 12.85 12 234.5 4.68 4 234.6 0.12 0 248.6 5.15 5 248.7 8.1 8 248.8 12.99 12 248.9 18.86 18 249.0 23.84 23 249.1 26.24 26 249.2 25.28 25 249.3 20.84 20 249.4 13.65 13 249.5 5.95 5 249.6 0.77 0 261.5 1.55 1 261.6 2.79 2 261.7 4.1 4 261.8 5.28 5 261.9 6.57 6 262.0 8.35 8 262.1 10.28 10 262.2 11.11 11 262.3 9.63 9 262.4 6.07 6 262.5 2.26 2 263.2 1.05 1 263.3 2.57 2 263.4 5.73 5 263.5 10.64 10 263.6 18.17 18 263.7 30.78 30 263.8 49.93 49 263.9 72.34 72 264.0 90.9 90 264.1 100.0 99 264.2 97.93 97 264.3 84.34 84 264.4 60.09 60 264.5 31.18 31 264.6 7.96 7 264.7 0.0 0 //