Metabolite Spectrum Accession: SMIL01859n
m/z
intensity
55.01882
4.8
57.03460
3.6
58.00593
0.7
59.01386
41.2
60.01701
0.5
62.49265
0.4
69.03448
1.6
71.01387
44.8
72.01707
0.7
72.48637
0.3
72.99316
5.3
73.02951
25.2
74.03307
0.4
75.00878
0.7
77.32378
0.3
81.03471
1.0
83.01391
19.9
84.95137
0.5
85.02956
28.2
86.00097
1.4
86.03296
0.4
87.00887
2.8
87.21007
0.4
88.76054
0.4
89.02446
6.3
95.01390
2.2
97.02960
2.5
97.46440
0.3
98.95612
0.3
99.00893
8.1
99.04431
0.4
101.02452
58.7
102.02798
1.2
103.04022
2.4
104.04397
0.4
104.78252
0.3
109.02963
3.7
111.00885
1.1
113.02460
19.1
117.49998
0.4
119.03517
1.7
121.02943
0.8
121.94163
0.4
122.98811
0.3
123.04535
1.6
124.50880
0.3
125.02472
3.0
127.04026
0.6
129.01961
1.3
131.03525
0.6
133.02945
0.9
134.03755
0.8
135.04538
6.3
143.03549
2.4
145.05089
1.3
151.03990
0.4
151.11311
0.4
153.12857
0.8
159.03021
4.5
159.04326
0.7
161.02628
1.8
161.04572
22.1
162.04919
0.6
163.06148
2.3
179.03537
3.6
185.02501
1.9
197.04549
2.8
205.07045
0.3
223.13441
0.6
226.05042
0.4
229.07034
1.9
247.08281
1.5
249.05573
0.5
265.05130
0.5
267.06711
0.5
277.05060
0.9
279.02835
0.6
293.04581
0.9
295.06079
1.4
313.07309
0.4
315.18137
100.0
316.18439
7.8
321.03964
3.3
339.05103
2.0
358.09280
0.5
359.17081
0.6
402.08353
0.8
461.23944
70.0
462.24286
7.0
MS Level
MS2
Instrument
Q Exactive Orbitrap (Thermo Scientific)
Instrument Type
UPLC-ESI-Q-Orbitrap
Collision Energy
27.50(15eV,40eV)
Ion Mode
negative
Precursor Type
[M-H]-
Precursor m/z
461.2397
Retention Time
8.3 min
Identification Level
In-silico
Match Score
0.61624325