ACCESSION: MSBNK-RIKEN_NPDepo-NGA01745
RECORD_TITLE: Glycocitridine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-001i-0190000000-6359c820b6657217981c
PK$NUM_PEAK: 155
PK$PEAK: m/z int. rel.int.
  163.4 2.86 2
  163.5 4.35 4
  163.6 6.79 6
  163.7 10.36 10
  163.8 14.57 14
  163.9 18.32 18
  164.0 20.8 20
  164.1 21.83 21
  164.2 21.08 21
  164.3 17.77 17
  164.4 11.94 11
  164.5 5.5 5
  164.6 1.22 1
  173.6 3.12 3
  173.7 4.57 4
  173.8 6.66 6
  173.9 9.0 8
  174.0 10.96 10
  174.1 12.27 12
  174.2 12.73 12
  174.3 11.69 11
  174.4 8.87 8
  174.7 4.79 4
  174.8 7.03 7
  174.9 9.29 9
  175.0 10.78 10
  175.1 11.45 11
  175.2 11.27 11
  175.3 9.9 9
  175.4 7.18 7
  175.5 3.87 3
  201.4 2.0 1
  201.5 3.19 3
  201.6 4.25 4
  201.7 5.67 5
  201.8 8.32 8
  201.9 12.09 12
  202.0 15.51 15
  202.1 17.09 17
  202.2 16.51 16
  202.3 13.9 13
  202.4 9.62 9
  202.5 5.04 5
  203.7 3.08 3
  203.8 4.69 4
  203.9 6.29 6
  204.0 7.27 7
  204.1 7.11 7
  204.2 5.69 5
  204.3 3.54 3
  205.4 2.02 2
  205.5 3.3 3
  205.6 5.23 5
  205.7 8.29 8
  205.8 12.18 12
  205.9 15.43 15
  206.0 16.92 16
  206.1 16.91 16
  206.2 15.86 15
  206.3 13.05 13
  206.4 8.09 8
  206.5 2.8 2
  217.5 2.01 2
  217.6 3.52 3
  217.7 5.61 5
  217.8 8.33 8
  217.9 11.25 11
  218.0 13.38 13
  218.1 13.96 13
  218.2 12.91 12
  218.3 10.4 10
  218.4 6.84 6
  218.5 3.33 3
  219.2 3.1 3
  219.3 4.71 4
  219.4 6.9 6
  219.5 9.54 9
  219.6 14.31 14
  219.7 23.63 23
  219.8 37.35 37
  219.9 51.69 51
  220.0 62.02 61
  220.1 65.32 65
  220.2 60.07 60
  220.3 46.24 46
  220.4 27.19 27
  220.5 9.76 9
  220.6 0.23 0
  231.5 3.21 3
  231.6 4.8 4
  231.7 7.42 7
  231.8 10.92 10
  231.9 14.17 14
  232.0 15.64 15
  232.1 14.84 14
  232.2 12.33 12
  232.3 8.65 8
  232.4 4.47 4
  232.5 1.07 1
  233.1 0.86 0
  233.2 2.11 2
  233.3 4.69 4
  233.4 8.88 8
  233.5 15.14 15
  233.6 25.66 25
  233.7 42.91 42
  233.8 64.86 64
  233.9 84.43 84
  234.0 96.19 96
  234.1 100.0 99
  234.2 95.52 95
  234.3 78.75 78
  234.4 49.81 49
  234.5 19.29 19
  234.6 0.24 0
  247.6 2.74 2
  247.7 3.74 3
  247.8 6.64 6
  247.9 11.23 11
  248.0 15.58 15
  248.1 17.55 17
  248.2 16.33 16
  248.3 12.68 12
  248.4 8.28 8
  248.7 5.27 5
  248.8 8.23 8
  248.9 10.96 10
  249.0 11.99 11
  249.1 11.38 11
  249.2 10.33 10
  249.3 9.26 9
  249.4 7.24 7
  249.5 3.99 3
  261.6 2.1 2
  261.7 3.35 3
  261.8 4.83 4
  261.9 7.08 7
  262.0 10.23 10
  262.1 12.87 12
  262.2 12.9 12
  262.3 9.74 9
  262.4 5.13 5
  262.5 1.49 1
  263.4 1.28 1
  263.5 2.49 2
  263.6 3.93 3
  263.7 5.52 5
  263.8 7.35 7
  263.9 9.38 9
  264.0 10.98 10
  264.1 11.39 11
  264.2 10.47 10
  264.3 8.69 8
  264.4 6.34 6
  264.5 3.6 3
//