ACCESSION: MSBNK-Keio_Univ-KO008897
RECORD_TITLE: Cytosine arabinoside; LC-ESI-IT; MS3; m/z: 244/112; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C119
COMMENT: [MS2] KO008896

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: CHEBI 28680
CH$LINK: KEGG C02961
CH$LINK: PUBCHEM 5877
CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N
CH$LINK: COMPTOX DTXSID3022877

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.50/0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 244/112
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-01p9-4930000000-401e6d33f676e2d80900
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  69.2 6.23 128
  93.9 13.38 274
  95.1 33.18 680
  112.1 28.12 576
  157.0 22.38 459
  187.1 48.74 999
  189.1 19.46 399
  213.1 8.74 179
  225.0 13.92 285
  230.1 2.46 50
  256.2 4.62 95
  281.8 19.00 389
//