ACCESSION: MSBNK-Keio_Univ-KO000524
RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:50 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: Cytarabine
CH$NAME: Cytosine-1-beta-D-arabinofuranoside
CH$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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 242
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00lu-9200000000-840df44a2d1149f4a7f7
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  42.100 539604.5 772
  50.000 29703.0 43
  52.200 64356.5 92
  58.900 34653.5 50
  65.000 277228.0 397
  67.000 361386.5 517
  80.200 24752.5 35
  81.100 698020.5 999
  82.400 44554.5 64
  90.800 148515.0 213
  98.700 14851.5 21
  108.200 207921.0 298
  108.800 123762.5 177
  110.300 306931.0 439
//