Mercurial > repos > recetox > recetox_msfinder

NAME: Acetylserotonin_2TMS isomer 2
SCANNUMBER: -1
RETENTIONTIME: -1
RETENTIONINDEX: 2520.736
PRECURSORMZ: 362.18381
PRECURSORTYPE: [M]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H30N2O2Si2
INCHIKEY: BITJWWNGDAOCJT-UHFFFAOYSA-N
INCHI:
SMILES: C[Si](C)(C)Oc1cc2c(cc1)n(cc2CC\N=C(/C)O)[Si](C)(C)C
AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
COLLISIONENERGY: 70
INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
INSTRUMENTTYPE: GC-EI-Orbitrap
IONIZATION: EI+
LICENSE: CC BY-NC
COMMENT:
Num Peaks: 84
73.04681	6882
74.04642	3441
76.01821	5005
77.02173	4634
78.03387	2401
78.91781	4925
79.04164	36910
80.91575	12768
81.06992	1588
89.03854	1372
91.05424	1324
92.06213	3591
93.03666	8343
94.93144	2656
95.04466	8498
95.93922	1565
103.05418	2844
104.06204	1384
105.06992	2211
106.89473	3073
106.94908	3532
108.94706	3679
111.04412	1592
113.03857	1585
115.05422	7216
120.05695	3247
120.94707	4091
120.96468	3380
122.06804	4192
123.93423	1315
124.94194	4725
127.02392	3504
129.06982	2726
130.06831	4067
141.06976	3435
145.06465	1876
149.06238	3354
152.06189	6328
164.94904	1697
167.05533	3051
170.0343	2446
171.95171	10548
172.95517	1555
173.94968	10065
174.95305	1284
178.07762	1953
183.08034	6206
184.08812	6315
185.09143	2274
192.98021	1819
194.07246	1646
197.97484	2121
198.97534	5042
204.08408	1545
208.03126	3799
209.01154	5448
210.99068	3675
211.06046	5392
214.10466	3080
220.07869	6462
226.0417	4848
227.02208	14828
230.00099	2388
230.09961	2241
240.94661	1761
254.96269	2484
257.06641	1341
273.14221	1338
288.12326	15718
289.12668	5715
290.13898	125444
291.14282	16150
292.1355	12595
293.13925	1290
302.1391	2508
303.14676	109060
304.1492	19700
305.143	7792
306.13388	4148
328.98126	2010
345.1445	7128
360.16812	2877
362.18381	10542
363.18671	4306
author	recetox
date	Wed, 24 Jan 2024 13:26:32 +0000
parents	7cda9aef13f3
children