ACCESSION: MSBNK-RIKEN_NPDepo-NGA01747
RECORD_TITLE: Glycocitridine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-03di-0090000000-39ab8f458a549225c49d
PK$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
//