ACCESSION: MSBNK-Keio_Univ-KO000213
RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; 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 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: KEGG C04051
CH$LINK: PUBCHEM SID:6752
CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8059891

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

PK$SPLASH: splash10-004i-0900000000-7f5a5c4e183bae4dac94
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  59.300 4386143.0 30
  61.500 123762.5 1
  78.800 69307.0 1
  79.300 34653.5 1
  80.100 19802.0 1
  82.000 217822.0 1
  88.800 94059.5 1
  95.100 99010.0 1
  107.200 905941.5 6
  108.200 1623764.0 11
  110.000 24752.5 1
  125.100 147519949.5 999
//