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MassBank Record: KO000418

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

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

ACCESSION: KO000418
RECORD_TITLE: Cytosine; 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 C033

CH$NAME: Cytosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H5N3O
CH$EXACT_MASS: 111.04326
CH$SMILES: NC(C=1)=NC(=O)NC1
CH$IUPAC: InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
CH$LINK: CAS 71-30-7
CH$LINK: CHEBI 16040
CH$LINK: KEGG C00380
CH$LINK: NIKKAJI J9.343B
CH$LINK: PUBCHEM SID:3670
CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4044456

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$FOCUSED_ION: PRECURSOR_M/Z 110
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00kf-9000000000-e57731b8ed024624cf7a
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  40.200 282178.5 120
  41.900 2341586.5 999
  50.400 59406.0 25
  63.100 34653.5 15
  64.600 59406.0 25
  65.400 14851.5 6
  67.000 1851487.0 790
  67.600 94059.5 40
  91.700 19802.0 8
  110.300 89109.0 38
//

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