MassBank Record: MSBNK-Keio_Univ-KO000216
ACCESSION: MSBNK-Keio_Univ-KO000216
RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 125
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-49775423db52b263ab35
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
37.800 14851.5 4
42.000 3366340.0 999
59.200 1178219.0 350
65.900 316832.0 94
80.000 79208.0 24
81.200 163366.5 48
82.000 297030.0 88
108.200 24752.5 7
//
system version 2.2.6-SNAPSHOT