L-Isoleucine; LC-ESI-ITFT; MS; POS

Outputs for L-Isoleucine; LC-ESI-ITFT; MS; POS

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00320
Synonyms: L-Isoleucine, 2-Amino-3-methylvaleric acid
Total mass: 131.1724
Formula: H13 C6 O2 N1

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: 134.038086,137.131699,141.958171,149.022904,154.016464,158.002177,163.132278,170.095866,172.152025,179.062747,182.028236,187.12606,199.179842,220.111375,233.173293,237.125548,243.025554,261.035702,279.15679,282.189845,294.225799,307.081061,364.266877,391.282894,408.292817,413.263556,436.339497,464.370027,522.376832,
Replicated queried mass peaks: 102.033553, 111.019815, 131.955182, 132.022203, 132.052867, 132.07494, 132.078381, 132.080101, 132.081821, 132.086409, 132.08813, 132.088703, 132.08985, 132.090997, 132.092718, 132.093291, 132.094438, 132.095298, 132.096732, 132.097593, 132.099887, 132.101607, 132.103041, 132.103902, 132.104762, 132.106196, 132.10677, 132.108204, 132.109351, 132.109925, 132.110498, 132.111072, 132.111646, 132.112793, 132.11394, 132.114514, 132.115661, 132.116522, 132.119677, 132.122545, 132.124267, 132.127996, 132.135742, 132.150375, 132.177639, 132.181083, 132.24799, 132.542927, 133.098346, 133.102697, 133.104727, 133.106758, 134.105235, 138.090951, 143.039018, 155.142526, 158.095628, 171.137707, 171.148702, 172.976261, 174.12715, 182.984796, 282.220291, 392.130737, 392.286254, 437.343196, 523.379555,
Processing time: 0:00:00.731846
Queried mass list: ['100.112', '110.020', '121.065', '131.662']

Queried mass	Num. matched formulas	Num. matched fragments
100.111848 (link to fragments)	2	3
110.019746 (link to fragments)	3	5
121.064566 (link to fragments)	1	1
131.662203 (link to fragments)	1	1