Related entries (identical compound): OUF00145 PR100112 KO000422 KO002550 KO002551 KO000423 KO002549 KO002548 KO000424 KO000425 KO000421 KO002547 MT000127 UF412503 UF412502 UF412501 UF412504 SM868004

Submission id: SM868004

Outputs for Creatinine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

Database: Critical Assessment of Small Molecule Identification 2016, Mass Spectrometry Society of Japan
Entry ID: SM868004
Synonyms: Creatinine, 2-Amino-3-methyl-4H-imidazol-5-one
Total mass: 113.1176
Formula: H7 C4 O1 N3

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: Q Exactive Plus Orbitrap Thermo Scientific
Instrument type: LC-ESI-QFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 58.0653, 72.0445,
Processing time: 0:00:01.101418
Queried mass list: ['57.057', '70.065', '86.071', '114.066']

Queried mass	Num. matched formulas	Num. matched fragments
57.0575 (link to fragments)	2	2
70.0653 (link to fragments)	4	4
86.0713 (link to fragments)	2	3
114.0662 (link to fragments)	1	1