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: KNA00041
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: 134.105235,137.132002,141.958171,149.022904,155.142891,158.096003,163.132671,170.095866,172.152025,179.0632,182.0287,187.12606,199.179842,223.062608,233.173966,279.157671,282.220291,294.226753,302.242873,364.26819,391.284356,408.294376,413.265143,422.323179,436.341219,464.370027,522.379087,803.544293,
Replicated queried mass peaks: 102.033748, 111.020036, 131.943157, 131.954323, 132.02249, 132.052581, 132.075227, 132.076374, 132.078094, 132.079241, 132.079814, 132.082395, 132.085262, 132.086696, 132.087556, 132.088703, 132.089277, 132.090424, 132.092144, 132.094151, 132.096445, 132.097019, 132.097879, 132.099313, 132.100174, 132.101607, 132.103615, 132.104189, 132.10677, 132.109351, 132.110785, 132.111932, 132.112506, 132.113653, 132.114801, 132.116522, 132.117669, 132.118529, 132.120537, 132.121398, 132.123406, 132.12398, 132.125127, 132.128283, 132.150949, 132.181083, 132.249426, 132.26063, 132.542927, 133.098346, 133.102407, 133.103277, 133.104727, 133.106467, 133.107338, 171.137707, 171.149125, 172.97669, 174.127584, 182.984796, 392.286254, 437.343196, 523.379555, 524.382899,
Processing time: 0:00:00.716845
Queried mass list: ['100.112', '110.020', '118.086', '122.964', '131.662']

Queried mass	Num. matched formulas	Num. matched fragments
100.111848 (link to fragments)	2	3
110.019746 (link to fragments)	3	5
118.086052 (link to fragments)	2	3
122.963861 (link to fragments)	1	1
131.662488 (link to fragments)	1	1