Creatine; LC-ESI-ITFT; MS; POS

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

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00149
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: 134.079718,141.957852,149.022561,158.001802,171.148702,174.12715,182.983861,187.125093,223.061979,263.139433,302.216077,391.282894,512.300207,522.349771,525.282239,
Replicated queried mass peaks: 121.956376, 121.982837, 122.003198, 122.015162, 122.016689, 122.017708, 122.018726, 122.020254, 122.021272, 122.022545, 122.023309, 122.024582, 122.026619, 122.028656, 122.030947, 122.031711, 122.033239, 122.034257, 122.035276, 122.036294, 122.038332, 122.050046, 122.070678, 122.158614, 123.023377, 123.025697, 123.029821, 124.022485, 124.030312, 131.9277, 131.996706, 132.026788, 132.049714, 132.053441, 132.05516, 132.056307, 132.060893, 132.063187, 132.064906, 132.066053, 132.0672, 132.068633, 132.070067, 132.0715, 132.07236, 132.073794, 132.076087, 132.078381, 132.080961, 132.081821, 132.083542, 132.084689, 132.085549, 132.086696, 132.087843, 132.089277, 132.09071, 132.091857, 132.096445, 132.102468, 132.125701, 132.15554, 132.224725, 132.517567, 133.073116, 133.079206, 133.081525, 263.145883, 263.152333, 264.147726, 392.284786,
Processing time: 0:00:00.713621
Queried mass list: ['102.033', '105.000', '120.065', '122.097', '131.637']

Queried mass	Num. matched formulas	Num. matched fragments
102.033359	No match found!	No match found!
105.0001 (link to fragments)	1	2
120.065375 (link to fragments)	1	1
122.097177 (link to fragments)	1	1
131.637095 (link to fragments)	1	1