ACCESSION: MSBNK-Keio_Univ-KO002315
RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; 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 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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 127
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-4900000000-c5cc732d595521342e28
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  40.700 24752.5 2
  55.300 3039607.0 212
  66.900 69307.0 5
  68.100 143564.5 10
  78.400 19802.0 1
  81.100 163366.5 11
  82.200 3237627.0 226
  93.100 103960.5 7
  109.100 74257.5 5
  110.300 14311895.5 999
  128.200 841585.0 59
  167.800 39604.0 3
//