ACCESSION: MSBNK-Keio_Univ-KO002313
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

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

PK$SPLASH: splash10-03fr-0900000000-dbf2f2a8c104b1886d61
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  40.900 237624.0 6
  55.200 1183169.5 32
  59.000 732674.0 20
  60.000 79208.0 2
  62.800 138614.0 4
  65.200 14851.5 1
  67.100 292079.5 8
  68.800 24752.5 1
  73.000 1465348.0 39
  73.700 49505.0 1
  76.600 54455.5 1
  76.900 287129.0 8
  78.000 49505.0 1
  81.300 44554.5 1
  85.100 74257.5 2
  91.000 207921.0 6
  91.400 59406.0 2
  95.200 346535.0 9
  100.300 14851.5 1
  109.100 222772.5 6
  110.100 37287166.0 999
  112.900 49505.0 1
  120.600 9901.0 1
  127.100 27351512.5 733
  128.200 5326738.0 143
//