Creatine; LC-ESI-ITFT; MS; POS

Outputs for Creatine; LC-ESI-ITFT; MS; POS

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00392
Synonyms: Creatine, alpha-Methylguanidino acetic acid, Methylglycocyamine
Total mass: 131.1328
Formula: H9 C4 O2 N3

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS
Instrument: LTQ Orbitrap XL, Thermo Scientfic
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 134.043949,141.957852,149.022904,158.002177,163.132278,171.148702,174.12715,179.0632,182.984328,187.125577,223.062608,263.145883,391.282894,522.352026,525.282239,
Replicated queried mass peaks: 102.033553, 131.917969, 131.927986, 131.997279, 132.026788, 132.047422, 132.050001, 132.052581, 132.053727, 132.05602, 132.057167, 132.059173, 132.060033, 132.06118, 132.061753, 132.063473, 132.065766, 132.066913, 132.06806, 132.069207, 132.070353, 132.072073, 132.07408, 132.076374, 132.078381, 132.080388, 132.081248, 132.082108, 132.082682, 132.083255, 132.084115, 132.084975, 132.085549, 132.086409, 132.087556, 132.08813, 132.088703, 132.090997, 132.092431, 132.093291, 132.094438, 132.096445, 132.0996, 132.102755, 132.109925, 132.125988, 132.152383, 132.15554, 132.225012, 132.235064, 132.517855, 133.073406, 133.074856, 133.077176, 133.079496, 134.079718, 264.148537, 392.286254,
Processing time: 0:00:00.731071
Queried mass list: ['100.112', '110.020', '116.034', '131.637']

Queried mass	Num. matched formulas	Num. matched fragments
100.111848	No match found!	No match found!
110.019746 (link to fragments)	3	5
116.034066 (link to fragments)	3	5
131.637095 (link to fragments)	1	1