ACCESSION: MSBNK-RIKEN_NPDepo-CB000298
RECORD_TITLE: Cytosine arabinoside,(beta-D-Furanose-form, 5'-Phosphate); LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Microbe, Pyrimidines

CH$NAME: Cytosine arabinoside, (beta-D-Furanose-form, 5'-Phosphate)
CH$COMPOUND_CLASS: Carbohydrates
CH$FORMULA: C₉H₁₃N₃NaO₈P
CH$EXACT_MASS: 345.1829
CH$SMILES: N=c1ccn(C2O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c([O-])n1.[Na+]
CH$IUPAC: InChI=1S/C9H14N3O8P.Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18);/q;+1/p-1/t4-,6-,7+,8?;/m0./s1
CH$LINK: INCHIKEY AJCAHIYEOVKFDR-JXAVVIDVSA-M
CH$LINK: PUBCHEM CID:44656615

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$SPLASH: splash10-0a4i-0901000000-1e66f788ab4c918e7213
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  100.4000 119861.1016 38
  100.5000 231869.1875 75
  100.6000 145215.5313 46
  100.7000 188699.4063 61
  100.8000 193501.0000 62
  100.9000 196821.7344 63
  101.0000 182865.5938 59
  101.1000 147863.1250 47
  101.2000 139247.1406 44
  101.3000 148401.6250 47
  101.4000 67761.2656 21
  111.5000 95404.2422 30
  111.6000 120713.7578 38
  111.7000 179275.6406 57
  111.8000 229221.5156 74
  111.9000 192379.1406 62
  112.0000 193141.9688 62
  112.1000 230029.2188 74
  112.2000 195834.5156 63
  112.3000 138529.1250 44
  112.4000 134221.1250 43
  156.3000 263999.6250 85
  156.4000 1831662.8750 601
  156.5000 2687204.7500 883
  156.6000 3039339.0000 999
  156.7000 2984053.5000 980
  156.8000 2995630.2500 984
  156.9000 2675043.5000 879
  157.0000 2562721.5000 842
  157.1000 2295939.5000 754
  157.2000 2107599.2500 692
  157.3000 1428864.8750 469
  157.4000 1007129.6250 330
  157.5000 338581.9063 110
  157.6000 145439.8750 46
  157.7000 125919.2656 40
  157.8000 126771.8672 40
  157.9000 132740.2656 42
  158.0000 132919.7500 42
  158.1000 131797.8750 42
  158.2000 70633.2578 22
  158.3000 81268.6250 25
  158.4000 97333.8594 31
  158.5000 94506.7578 30
  158.6000 106398.6328 34
  158.7000 86922.8750 27
  158.8000 67088.1328 21
  178.6000 110482.2500 35
  178.7000 84050.8906 26
  178.8000 87057.4922 27
  178.9000 81448.1328 25
  179.0000 84948.3906 26
  179.1000 67985.6250 21
  179.2000 78665.8750 24
  179.3000 76826.0078 24
  323.4000 243805.8906 79
  323.5000 324805.2188 105
  323.6000 405625.1875 132
  323.7000 397861.7813 129
  323.8000 451532.2813 147
  323.9000 486220.6563 158
  324.0000 430665.3750 140
  324.1000 438204.4375 143
  324.2000 317356.0313 103
  324.3000 283430.5313 92
  324.4000 125784.6250 40
  324.5000 156838.0938 50
  324.6000 93429.7578 29
  401.4000 114565.8828 36
  401.5000 165543.8906 53
  401.6000 135702.0000 43
  401.7000 166620.8906 53
  401.8000 166306.7656 53
  401.9000 169268.5000 54
  402.0000 173486.7813 56
  402.1000 152530.1250 49
  402.2000 155536.7500 50
  402.3000 108597.5078 34
//