MassBank Record: KO000214

Home Search Record Index Data Privacy Imprint

5-Amino-4-imidazolecarboxamide; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO000214
RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQ; MS2; CE:20 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 A136

CH$NAME: 5-Amino-4-imidazolecarboxamide
CH$NAME: 5-Amino-4-imidazolecarboxyamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6N4O
CH$EXACT_MASS: 126.05416
CH$SMILES: C1=NC(=C(N1)C(=O)N)N
CH$IUPAC: InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
CH$LINK: COMPTOX DTXSID8059891
CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N
CH$LINK: KEGG C04051
CH$LINK: PUBCHEM SID:6752

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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 125
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0a6r-4900000000-f098009008beac308c09
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  41.9 3212870.0 151.0
  59.2 7742580.0 365.0
  61.0 79208.0 4.0
  65.1 39604.0 2.0
  74.4 24752.5 1.0
  79.0 74257.5 3.0
  80.1 851486.0 40.0
  82.1 5247530.0 247.0
  88.8 74257.5 3.0
  98.1 59406.0 3.0
  106.9 4420800.0 208.0
  108.0 9490110.0 447.0
  109.8 14851.5 1.0
  125.0 2.12079E7 999.0
  126.0 153466.0 7.0
//