ACCESSION: MSBNK-Keio_Univ-KO002602
RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C119

CH$NAME: Cytosine arabinoside
CH$NAME: Cytosine-1-beta-D-arabinofuranoside
CH$NAME: Cytarabine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₃N₃O₅
CH$EXACT_MASS: 243.08552
CH$SMILES: OCC(O1)C(O)C(O)C1N(C=2)C(=O)N=C(N)C2
CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
CH$LINK: CAS 147-94-4
CH$LINK: KEGG C02961
CH$LINK: NIKKAJI J2.958K
CH$LINK: PUBCHEM SID:5877
CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N
CH$LINK: COMPTOX DTXSID3022877

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 244
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-01ox-0790000000-270551529aa609aa9ce8
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  50.000 217822.0 2
  53.800 14851.5 1
  68.200 950496.0 9
  73.700 14851.5 1
  82.100 2074259.5 19
  85.000 59406.0 1
  86.300 138614.0 1
  86.900 24752.5 1
  95.000 128713.0 1
  97.000 49505.0 1
  100.000 490099.5 5
  104.900 49505.0 1
  106.200 1950497.0 18
  108.300 29703.0 1
  109.000 99010.0 1
  109.600 24752.5 1
  112.200 92302072.5 853
  118.200 34653.5 1
  120.300 34653.5 1
  125.000 49505.0 1
  132.800 49505.0 1
  135.100 183168.5 2
  135.900 34653.5 1
  138.800 14851.5 1
  146.300 34653.5 1
  149.300 29703.0 1
  151.000 34653.5 1
  151.900 158416.0 1
  153.100 831684.0 8
  155.100 54455.5 1
  167.200 49505.0 1
  168.200 188119.0 2
  174.600 311881.5 3
  176.600 34653.5 1
  179.800 64356.5 1
  184.300 59406.0 1
  185.100 79208.0 1
  191.300 4400994.5 41
  195.100 247525.0 2
  198.300 44554.5 1
  208.500 113861.5 1
  209.400 1341585.5 12
  212.500 128713.0 1
  226.200 1876239.5 17
  227.200 7004957.5 65
  244.400 108079316.0 999
  245.500 39604.0 1
//