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MassBank Record: KO000520

Cytosine arabinoside; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000520
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: 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 10 V

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

PK$SPLASH: splash10-0006-0190000000-eff861edb69ddab2c195
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  45.100 29703.0 1
  85.400 24752.5 1
  90.700 168317.0 4
  109.000 3232676.5 78
  110.400 415842.0 10
  126.100 49505.0 1
  132.400 14851.5 1
  138.200 14851.5 1
  150.000 14851.5 1
  152.200 222772.5 5
  181.000 39604.0 1
  198.400 64356.5 2
  199.400 717822.5 17
  209.500 54455.5 1
  240.200 29703.0 1
  242.100 41594101.0 999
  243.100 79208.0 2
//

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