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MassBank Record: KO003304

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

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

ACCESSION: KO003304
RECORD_TITLE: Lumazine; 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 L024

CH$NAME: Lumazine
CH$NAME: 2,4-Dihydroxypteridine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4N4O2
CH$EXACT_MASS: 164.03343
CH$SMILES: Oc(n1)nc(n2)c(ncc2)c(O)1
CH$IUPAC: InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
CH$LINK: CAS 487-21-8
CH$LINK: CHEBI 16489
CH$LINK: KEGG C03212
CH$LINK: NIKKAJI J6.019D
CH$LINK: PUBCHEM SID:6086
CH$LINK: INCHIKEY UYEUUXMDVNYCAM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0060068

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 165
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-9300000000-0c5d6de33209f9f3ddf7
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  55.400 19802.0 118
  59.300 34653.5 206
  61.600 34653.5 206
  70.000 34653.5 206
  73.600 14851.5 88
  74.800 19802.0 118
  80.200 14851.5 88
  83.000 64356.5 382
  83.900 19802.0 118
  87.900 168317.0 999
  91.100 24752.5 147
  103.300 19802.0 118
  105.000 39604.0 235
  114.500 29703.0 176
  116.100 29703.0 176
  119.900 49505.0 294
//

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