ACCESSION: MSBNK-RIKEN_NPDepo-NGA01748
RECORD_TITLE: Glycocitridine; 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, Quinoline alkaloids

CH$NAME: Glycocitridine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₃H₁₃NO₅
CH$EXACT_MASS: 263.2523
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
CH$LINK: PUBCHEM CID:928053

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$SPLASH: splash10-03di-0090000000-3cc86ed44b82191c38c4
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  263.2 0.55 0
  263.3 1.83 1
  263.4 4.89 4
  263.5 10.08 10
  263.6 18.65 18
  263.7 32.71 32
  263.8 52.56 52
  263.9 74.29 74
  264.0 91.54 91
  264.1 100.0 99
  264.2 98.63 98
  264.3 86.77 86
  264.4 63.97 63
  264.5 34.92 34
  264.6 10.05 10
  264.7 0.0 0
//