ACCESSION: MSBNK-RIKEN_NPDepo-CB000022
RECORD_TITLE: Glycocitridine; LC-ESI-QQQ; MS; [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$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-0090000000-9d39219bf2cdcca525da
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  109.2000 69304.8594 26
  109.3000 96676.8516 37
  109.4000 135634.8594 53
  125.2000 66119.6719 25
  125.3000 69339.9375 26
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  220.6000 66644.7500 25
  234.2000 87051.2109 33
  234.3000 112287.9922 44
  234.4000 104797.4609 41
  234.5000 143615.2344 56
  234.6000 111027.9219 43
  234.7000 68639.8750 26
  249.3000 100527.1719 39
  249.4000 96046.8516 37
  249.5000 94996.7813 37
  249.6000 91146.5000 35
  249.7000 69794.9766 27
  264.1000 64404.5859 24
  264.2000 1120010.1250 448
  264.3000 2034275.0000 815
  264.4000 2332741.2500 934
  264.5000 2492387.7500 999
  264.6000 2421682.5000 970
  264.7000 1925522.2500 771
  264.8000 638410.5625 255
  264.9000 196644.0156 77
  265.2000 161011.4688 63
  265.3000 363080.9063 144
  265.4000 442956.5313 176
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  311.2000 59224.1953 22
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  549.6000 96081.8594 37
  549.7000 88976.3359 34
//