MassBank Record: KO000522

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Cytosine arabinoside; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000522
RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:30 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: 243.085520000000002482920535840094089508056640625
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: COMPTOX DTXSID3022877
CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N
CH$LINK: KEGG C02961
CH$LINK: NIKKAJI J2.958K
CH$LINK: PUBCHEM SID:5877

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 30 V

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

PK$SPLASH: splash10-0a4i-3900000000-d85ae6c771dd9206c4c2
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41.900 732674.0 114
  44.700 14851.5 2
  59.500 29703.0 5
  67.100 148515.0 23
  81.100 2242576.5 350
  82.300 79208.0 12
  84.300 19802.0 3
  85.100 24752.5 4
  88.400 29703.0 5
  91.100 500000.5 78
  98.700 59406.0 9
  106.900 44554.5 7
  108.100 44554.5 7
  109.100 6396046.0 999
  110.000 3108914.0 486
  119.000 19802.0 3
  123.200 29703.0 5
  152.200 183168.5 29
  242.100 49505.0 8
//