omega-COOH-tetranor-LTE3
Formula: C15H16Cl3N3O2 (375.0308)
Chinese Name: 咪鲜安, 咪鲜胺
BioDeep ID: BioDeep_00000001172
( View LC/MS Profile)
SMILES: CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1
Found 17 Sample Hits
m/z | Adducts | Species | Organ | Scanning | Sample | |
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393.067 | [M+NH4]+PPM:6 |
Marker Pen | NA | DESI (None) |
3ul_0.8Mpa_RAW_20241016-PAPER PNMK - MEMI_testResolution: 30μm, 315x42
By writing the four English letters “PNMK” on white paper with a marker pen, and then scanning with a DESI ion source to obtain the scanning result. The signal of the chemical substances on the marker pen used appears on the channel with an m/z value of |
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375.0474 | [M-H2O+NH4]+PPM:17.8 |
Plant | Root | MALDI (DHB) |
MPIMM_035_QE_P_PO_6pm - MPIMM_035_QE_P_PO_6pmResolution: 30μm, 165x170
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376.034 | [M+H]+PPM:10.9 |
Plant | Root | MALDI (DHB) |
MPIMM_035_QE_P_PO_6pm - MPIMM_035_QE_P_PO_6pmResolution: 30μm, 165x170
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393.0591 | [M+NH4]+PPM:14.1 |
Plant | Root | MALDI (DHB) |
MPIMM_035_QE_P_PO_6pm - MPIMM_035_QE_P_PO_6pmResolution: 30μm, 165x170
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375.0472 | [M-H2O+NH4]+PPM:18.3 |
Homo sapiens | Liver | MALDI (DHB) |
20171107_FIT4_DHBpos_p70_s50 - Rappez et al (2021) SpaceM reveals metabolic states of single cellsResolution: 50μm, 70x70
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393.059 | [M+NH4]+PPM:14.3 |
Homo sapiens | Liver | MALDI (DHB) |
20171107_FIT4_DHBpos_p70_s50 - Rappez et al (2021) SpaceM reveals metabolic states of single cellsResolution: 50μm, 70x70
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393.0645 | [M+NH4]+PPM:0.3 |
Rattus norvegicus | Brain | MALDI (CHCA) |
2018June2820180628_brain_POS_3s2_validated - MTBLS3154Resolution: 17μm, 213x141
All MSI experiments were performed on a hybrid linear ion trap 21 T FT-ICR mass spectrometer at the National High Magnetic Field Laboratory (NHMFL) at Florida State University (Tallahassee, FL). A Velos Pro linear ion trap (Thermo Scientific, San Jose, CA) was combined with NHMFL-designed external linear quadrupole ion trap, quadrupole ion transfer optics and a novel dynamically harmonized ICR cell, which is operated at 7.5 V trapping potential[1]. Briefly, the cell uses 120° cell segments for ion excitation and detection, for improved excitation electric field, detection sensitivity and reduced third harmonic signals[2][3].
The commercial ion source and stacked ring ion guide were replaced with an elevated-pressure MALDI ion source incorporating a dual-ion funnel interface (Spectroglyph LLC, Kennewick, WA) as has been described previously[4]. Voltages within the funnels were 625 kHz, 150 V peak-to-peak (first, high-pressure ion funnel) and 1.2 MHz, 90 V peak-to-peak (second, low-pressure ion funnel). An electric field gradient of ∼10 V/cm was maintained within the dual-funnel system, with a gradient of 100 V/cm between the sample and the funnel inlet. The system was equipped with a Q-switched, frequency-tripled Nd:YLF laser emitting 349 nm light (Explorer One, Spectra Physics, Mountain View, CA). The laser was operated at a repetition rate of 1 kHz and pulse energy of ∼1.2 μJ. Pressure within the ion source was set to 10 mbar in the first ion funnel and 2 mbar in the second ion funnel. MALDI stage motion was synchronized with ion accumulation using the Velos trigger signal indicating commencement of the ion trap injection event, as previously described[4]. The mass spectrometer was operated with an ion injection time of 250 ms and automatic gain control (AGC) was turned off. A transient duration of 3.1 s was used for ultrahigh mass resolving power analyses, resulting in a total time of 4s per pixel. Spectra were obtained in both positive and negative mode, at 100 μm spatial resolution. Total number of pixels per brain section were approximately 22 000 and 24 h of experimental time. A Predator data station was used for ion excitation and detection[5].
Refs:
[1] Hendrickson CL, Quinn JP, Kaiser NK, Smith DF, Blakney GT, Chen T, Marshall AG, Weisbrod CR, Beu SC. 21 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer: A National Resource for Ultrahigh Resolution Mass Analysis. J Am Soc Mass Spectrom. 2015 Sep;26(9):1626-32. doi:10.1007/s13361-015-1182-2. Epub 2015 Jun 20. PMID:26091892.
[2] Hendrickson CL, Beu SC, Blakney GT, Kaiser NK, McIntosh DG, Quinn JP, Marshall AG. In Optimized cell geometry for Fourier transform ion cyclotron resonance mass spectrometry, Proceedings of the 57th ASMS Conference on Mass Spectrometry and Allied Topics, Philadelphia, PA, May 31 to June 4; Philadelphia, PA, 2009.
[3] Chen T, Beu SC, Kaiser NK, Hendrickson CL. Note: Optimized circuit for excitation and detection with one pair of electrodes for improved Fourier transform ion cyclotron resonance mass spectrometry. Rev Sci Instrum. 2014 Jun;85(6):066107. doi:10.1063/1.4883179. PMID:24985871.
[4] Belov ME, Ellis SR, Dilillo M, Paine MRL, Danielson WF, Anderson GA, de Graaf EL, Eijkel GB, Heeren RMA, McDonnell LA. Design and Performance of a Novel Interface for Combined Matrix-Assisted Laser Desorption Ionization at Elevated Pressure and Electrospray Ionization with Orbitrap Mass Spectrometry. Anal Chem. 2017 Jul 18;89(14):7493-7501. doi:10.1021/acs.analchem.7b01168. Epub 2017 Jun 28. PMID:28613836.
[5] Blakney GT, Hendrickson CL, Marshall AG. Predator data station: A fast data acquisition system for advanced FT-ICR MS experiments. Int. J. Mass Spectrom. 2011;306 (2-3), 246- 252. doi:10.1016/j.ijms.2011.03.009. |
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375.0479 | [M-H2O+NH4]+PPM:16.4 |
Mytilus edulis | mantle | MALDI (DHB) |
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 - MTBLS2960Resolution: 10μm, 270x210
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393.0585 | [M+NH4]+PPM:15.6 |
Mytilus edulis | mantle | MALDI (DHB) |
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 - MTBLS2960Resolution: 10μm, 270x210
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375.0475 | [M-H2O+NH4]+PPM:17.5 |
Mytilus edulis | gill | MALDI (DHB) |
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960Resolution: 11μm, 305x210
single cell layer |
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393.0581 | [M+NH4]+PPM:16.6 |
Mytilus edulis | gill | MALDI (DHB) |
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960Resolution: 11μm, 305x210
single cell layer |
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375.0476 | [M-H2O+NH4]+PPM:17.2 |
Mytilus edulis | mantle | MALDI (DHB) |
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960Resolution: 10μm, 275x210
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393.0581 | [M+NH4]+PPM:16.6 |
Mytilus edulis | mantle | MALDI (DHB) |
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960Resolution: 10μm, 275x210
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393.0613 | [M+NH4]+PPM:8.5 |
Mus musculus | brain | MALDI (DHB) |
Brain01_Bregma-3-88b_centroid - MTBLS313Resolution: 17μm, 265x320
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393.0606 | [M+NH4]+PPM:10.3 |
Mus musculus | brain | MALDI (DHB) |
Brain02_Bregma1-42_03 - MTBLS313Resolution: 17μm, 483x403
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393.0606 | [M+NH4]+PPM:10.3 |
Mus musculus | brain | MALDI (DHB) |
Brain02_Bregma-3-88 - MTBLS313Resolution: 17μm, 288x282
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393.0606 | [M+NH4]+PPM:10.3 |
Mus musculus | brain | MALDI (DHB) |
Brain02_Bregma-1-46 - MTBLS313Resolution: 17μm, 294x399
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omega-COOH-tetranor-LTE3, also known as Prochloraz-MN, is classified as a member of the Phenol ethers. Phenol ethers are aromatic compounds containing an ether group substituted with a benzene ring. omega-COOH-tetranor-LTE3 is considered to be practically insoluble (in water) and basic. omega-COOH-tetranor-LTE3 is a non-carcinogenic (not listed by IARC) potentially toxic compound CONFIDENCE standard compound; INTERNAL_ID 580; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9617; ORIGINAL_PRECURSOR_SCAN_NO 9615 CONFIDENCE standard compound; INTERNAL_ID 580; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9690; ORIGINAL_PRECURSOR_SCAN_NO 9687 CONFIDENCE standard compound; INTERNAL_ID 580; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9587; ORIGINAL_PRECURSOR_SCAN_NO 9585 CONFIDENCE standard compound; INTERNAL_ID 580; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9674; ORIGINAL_PRECURSOR_SCAN_NO 9673 CONFIDENCE standard compound; INTERNAL_ID 580; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9668; ORIGINAL_PRECURSOR_SCAN_NO 9666 CONFIDENCE standard compound; INTERNAL_ID 580; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9637; ORIGINAL_PRECURSOR_SCAN_NO 9635 CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2000 INTERNAL_ID 2000; CONFIDENCE Parent Substance (Level 1) CONFIDENCE standard compound; EAWAG_UCHEM_ID 96 CONFIDENCE standard compound; INTERNAL_ID 8389 CONFIDENCE standard compound; INTERNAL_ID 4058 CONFIDENCE standard compound; INTERNAL_ID 2566 D016573 - Agrochemicals D010575 - Pesticides