f.Francesca90/rette droga triplicata/file convertiti/180813_MIX38-100PPB.mzXML;

f.Francesca90/rette droga triplicata/file convertiti/180813_MIX38-20PPB_III.mzXML;

f.Francesca90/rette droga triplicata/file convertiti/180813_MIX60-250PPB_III.mzXML;

f.Francesca90/rette droga triplicata/file convertiti/180813_MIX60-250PPB_II.mzXML;

f.Francesca90/rette droga triplicata/file convertiti/180813_MIX60-100PPB_III.mzXML;

f.Francesca90/rette droga triplicata/file convertiti/180813_MIX60-100PPB.mzXML;

f.Francesca90/rette droga triplicata/file convertiti/180813_MIX60-10PPB.mzXML;

f.Francesca90/rette droga triplicata/file convertiti/180813_MIX38-10PPB.mzXML;

Leucinostatin A, N9-Oxide ; Paecilotoxin K observed in Leucinostatin A and B standards

COMPOUND SUMMARY GSDHBCARJCOTCO-QURGRASLSA-N PubChem CID:6450026 Structure: 2D Structure of GSDHBCARJCOTCO-QURGRASLSA-N InChI Key: GSDHBCARJCOTCO-QURGRASLSA-N  Molecular Formula:C60H107N11O13 Chemical Names: Leucinostatin C  Paecilotoxin C  110483-88-0  AC1O50YB  Leucinostatin A, 9-(N-(2-amino-1-methylethyl)-beta-alaninamide)-, (9(S))-  Molecular Weight: 1190.58 g/mol  Dates: Modify: 2019-04-13  Create: 2006-04-29  1StructuresHelpNew Window 1.12D StructureHelpNew Window Download Chemical Structure Depiction GSDHBCARJCOTCO-QURGRASLSA-N.png from PubChem 23D StatusHelpNew Window Conformer generation is disallowed since too many atoms, too flexible, too many undefined stereo centers  from PubChem 3Names and IdentifiersHelpNew Window 3.1Computed DescriptorsHelpNew Window 3.1.1IUPAC NameHelpNew Window N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[3-(1-aminopropan-2-ylamino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-6-hydroxy-4-methyl-1,8-dioxodecan-2-yl]-4-methyl-1-[(E)-4-methylhex-2-enoyl]pyrrolidine-2-carboxamide  from PubChem 3.1.2InChIHelpNew Window InChI=1S/C60H107N11O13/c1-19-36(9)21-22-47(75)71-32-38(11)29-45(71)53(80)65-44(28-37(10)27-41(73)30-40(72)20-2)51(78)67-48(49(76)35(7)8)54(81)69-59(15,16)56(83)66-42(25-33(3)4)50(77)64-43(26-34(5)6)52(79)68-60(17,18)57(84)70-58(13,14)55(82)62-24-23-46(74)63-39(12)31-61/h21-22,33-39,41-45,48-49,73,76H,19-20,23-32,61H2,1-18H3,(H,62,82)(H,63,74)(H,64,77)(H,65,80)(H,66,83)(H,67,78)(H,68,79)(H,69,81)(H,70,84)/b22-21+

Leucinostatin D N9-Oxide observed in leucino A/B standard dereplicator annotation

Leucinostatin F M+H putative observed in Leucinostatin A/B standard

Leucinostatin D M+H putative observed in leucinostatin A/B standard

Leucinostatin_K;_Paecilotoxin_K observed in Leucino A/B standard, annotate with dereplicator

Leucinostatin N observed in Leucin A/B standard dereplicator annotatiom

Lovastatin derivative putative C21H30O5 observed in fungal symbiont H

Lovastatin putative derivative C26H38O6 observed in fungal symbiont H

f.ktahlan/KT-1/MUN/Methanol/SC/1_180806215001 SC on SA meth-pos.mzXML;

f.ktahlan/KT-1/MUN/Ethyl Acetate/SC/14 SC on GSPG EthAc-pos.mzXML;

f.ktahlan/KT-1/MUN/Ethyl Acetate/SC/13 SC on SA EthAc-pos.mzXML;

Indolactam derivative M-CO+H C28H37N3O2 related to Lyngbyatoxin A

9-(4-aminophenyl)-3,7-dihydroxy-2,4,6-trimethyl-9-oxo-nonoic acid (candicidin related)

Brominated Phosphatidylcholine C24H47BrNO8 - putative - Functions on the acyl moity have unknown location

Brominated Phosphatidylcholine mz 2+ C24H47BrNO8 - putative - Functions on the acyl moity have unknown location

f.duplais/Voruscharin/Voruscharin neg/A. tuberosa vor. Treated foliage 1 neg.mzXML;

f.Mirco/Prove di separazione/2020_ALPHA_ETHYLTRYPTAMINE_200_PPB_II.mzML;

f.uzis/Liquid culture extraction 18.10.20/Pyocyanin_18-11-20.mzXML;

f.ra786ubt/Sclav samples pos/10_1_clavu_M_SAMPLE_OE_5-Media_7_A10.mzXML;

f.ra786ubt/Sclav samples pos/3_1_clavu_M_SAMPLE_OE_5-Media_7_A3.mzXML;

3beta-Hydroxyoleana-9(11),12-dien-28-oic acid beta-D-glucopyranosyl ester putative

3beta-Hydroxyoleana-9(11),12-dien-28-oic acid beta-D-glucopyranosyl ester

SN00379882 Acetylated triterpenoids from Streptomyces clavuligerus

f.ra786ubt/Sclav samples pos/8_1_clavu_M_SAMPLE_OE_5-Media_7_A8.mzXML;

f.ra786ubt/Sclav samples pos/11_1_clavu_M_SAMPLE_OE_5-Media_7_A11.mzXML;

f.ra786ubt/Sclav samples neg/9_1_clavu_M_SAMPLE_OE_5-Media_7_A9_Neg.mzXML;

f.duplais/Asclepias syriaca seeds project/All samples/SLY.mzXML;

f.duplais/Asclepias syriaca seeds project/All samples/BISH.mzXML;

f.duplais/Asclepias syriaca seeds project/All samples/PHIL.mzXML;

f.duplais/Asclepias syriaca seeds project/All samples/AMH.mzXML;

f.duplais/Voruscharin/List of compound/16-alpha-hydroxyuscharin pos.mzXML;

MolDiscovery Identification - Glucuronic_acid,_8CI,_9CI_6-Aminohexyl_glycoside

Pesticide3_Fenoxycarb_C17H19NO4_[2-(4-Phenoxyphenoxy)ethyl]carbamic acid ethyl ester

Pesticide9_Formetanate HCl_C11H15N3O2 . HCl_3-{[(E)-(Dimethylamino)methylidene]amino}phenyl methylcarbamate hydrochloride (1:1)

Pesticide5_Bupirimate_C13H24N4O3S_Sulfamic acid, N,N-dimethyl-, 5-butyl-2-(ethylamino)-6-methyl-4-pyrimidinyl ester

Pesticide1_Mevinphos Isomer 1*_C7H13O6P_2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester, (2E)-

Spectral Match to 1-Myristoyl-2-stearoyl-sn-glycero-3-phosphocholine from NIST14

Spectral Match to 1-Hexadecyl-sn-glycero-3-phosphocholine from NIST14

Spectral Match to 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14

Spectral Match to R-Palmitoyl-(1-methyl) ethanolamide from NIST14

Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14

Spectral Match to cis-5,8,11,14-Eicosatetraenoic acid from NIST14

Spectral Match to N-[(1R)-2-Hydroxy-1-methylethyl-9Z-octadecenamide from NIST14

MSV000081116/ccms_peak/TSB/Pseudomonas sp WCS312/P_sp_WCS312_Mix6_SampleE8.mzML

Spectral Match to Adenosine 2',3'-cyclic monophosphate from NIST14

Spectral Match to 12-Oxo-5Z,8Z,10E,14Z-eicosatetraenoic acid from NIST14

Spectral Match to cis-4,7,10,13,16,19-Docosahexaenoic acid from NIST14

Spectral Match to 1,2-Dilinoleoyl-sn-glycero-3-phosphocholine from NIST14

MSV000081116/ccms_peak/TSB/Pseudomonas sp WCS312/P_sp_WCS312_Mix2_SampleE4.mzML

Spectral Match to (.+/-.)-5,6-Dihydroxy-8Z,11Z,14Z-eicosatrienoic acid from NIST14

Spectral Match to 9,10-Dihydroxy-12Z-octadecenoic acid from NIST14

MSV000081116/ccms_peak/TSB/Pseudomonas synxantha 32/P_syn_32_Mix1_SampleF3.mzML

Spectral Match to 4-(tert-Butylamino)-6-ethylamino-5H-1,3,5-triazin-2-one from NIST14

Spectral Match to 4-(2-Amino-1-hydroxyethyl)-2-methoxyphenol from NIST14

Spectral Match to 1-Myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine from NIST14

Spectral Match to 4-[2-(4-tert-Butylphenyl)ethoxy]quinazoline from NIST14

Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14

Spectral Match to 1,2-Dipentadecanoyl-sn-glycero-3-phosphocholine from NIST14

Spectral Match to cis-7,10,13,16,19-Docosapentaenoic acid from NIST14

Spectral Match to Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro- from NIST14

Spectral Match to 9-Oxo-10E,12Z-octadecadienoic acid from NIST14

MSV000081116/ccms_peak/TSB/Pseudomonas sp WCS312/P_sp_WCS312_Mix5_SampleE7.mzML

MSV000081116/ccms_peak/TSB/Pseudomonas synxantha 32/P_syn_32_Mix2_SampleF4.mzML

Spectral Match to Guanosine 3',5'-cyclic monophosphate from NIST14

Spectral Match to 5-(2-Hydroxyethyl)-4-methylthiazole from NIST14

Spectral Match to N-Lauroyl-D-erythro-sphingosylphosphorylcholine from NIST14

Spectral Match to Quercetin 3,5,7,3',4'-pentamethyl ether from NIST14

Spectral Match to 3'-Hydroxy-5,6,7,4'-tetramethoxyflavone from NIST14

Spectral Match to 1-O-Hexadecyl-2-O-(2E-butenoyl)-sn-glyceryl-3-phosphocholine from NIST14

Spectral Match to 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14

Spectral Match to N-Benzyl-3-aminopropionic acid ethyl ester from NIST14

Spectral Match to 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine from NIST14

Spectral Match to Conjugated linoleic Acid (10E,12Z) from NIST14

Spectral Match to 1-(9Z-Octadecenoyl)-2-tetradecanoyl-sn-glycero-3-phosphocholine from NIST14

Spectral Match to 1-(1Z-Octadecenyl)-sn-glycero-3-phosphocholine from NIST14

MSV000081116/ccms_peak/ISP2/Streptomyces roseosporus NRRL 15998/Strept_roseosporus_SampleB1_media.mzML

Spectral Match to Cyclic adenosine diphosphate ribose from NIST14

Spectral Match to 1-Lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholine from NIST14

Spectral Match to N-Cyclohexanecarbonylpentadecylamine from NIST14

MSV000081116/ccms_peak/ISP2/Streptomyces roseosporus NRRL 15998/Strept_roseosporus_Mix3_SampleB5.mzML

MSV000081116/ccms_peak/TSB/Pseudomonas sp WCS312/P_sp_WCS312_Mix1_SampleE3.mzML

Spectral Match to 2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenol from NIST14

Spectral Match to Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- from NIST14

Spectral Match to 4,2'-Dihydroxy-4',6'-dimethoxychalcone from NIST14

Spectral Match to 3,5,7-Trihydroxy-3',4',5'-trimethoxyflavone from NIST14

Spectral Match to Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate from NIST14

Spectral Match to 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine from NIST14

Spectral Match to cis-7,10,13,16-Docosatetraenoic acid from NIST14

MSV000081116/ccms_peak/TSB/Pseudomonas synxantha 32/P_syn_32_Mix3_SampleF5.mzML

Spectral Match to 3',5'-Dimethoxy-3,5,7,4'-tetrahydroxyflavone from NIST14

Spectral Match to cis-7-Hexadecenoic acid methyl ester from NIST14

MSV000081116/ccms_peak/ISP2/Streptomyces roseosporus NRRL 15998/Strept_roseosporus_SampleB2_control.mzML

Spectral Match to .beta.-Nicotinamide adenine dinucleotide from NIST14

Spectral Match to 1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-myo-inositol) from NIST14

MSV000081116/ccms_peak/TSB/Pseudomonas sp WCS312/P_sp_WCS312_SampleE1_media.mzML

Spectral Match to 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine from NIST14

Spectral Match to valine from NIST14-note this is the rearranged loss of ammonia to form a proline see parent mass

Spectral Match to DL-Ornithine from NIST14-note this is the rearranged loss of ammonia to form a proline see parent mass

Spectral Match to N-(4-Aminobenzoyl)-L-glutamic acid from NIST14

Spectral Match to 4',6'-Dimethoxy-2'-hydroxychalcone from NIST14

Spectral Match to .omega.-3 Arachidonic acid ethyl ester from NIST14

Spectral Match to 1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)- from NIST14

MSV000081116/ccms_peak/ISP2/Streptomyces roseosporus NRRL 15998/Strept_roseosporus_Mix4_SampleB6.mzML

Spectral Match to 5,3'-Dihydroxy-6,7,4'-trimethoxyflavone from NIST14

Spectral Match to N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid from NIST14

Spectral Match to .beta.-D-Glucopyranose, 1,6-anhydro- from NIST14

MSV000081116/ccms_peak/ISP2/Streptomyces roseosporus NRRL 15998/Strept_roseosporus_Mix6_SampleB8.mzML

Spectral Match to 1-Myristoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine from NIST14

Spectral Match to 1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine from NIST14

MSV000081116/ccms_peak/TSB/Pseudomonas synxantha 32/P_syn_32_Mix4_SampleF6.mzML

MSV000081116/ccms_peak/TSB/Pseudomonas sp WCS312/P_sp_WCS312_Mix3_SampleE5.mzML

Spectral Match to 2-Propenoic acid, 3-(4-methoxyphenyl)- from NIST14

MSV000081116/ccms_peak/ISP2/Streptomyces roseosporus NRRL 15998/Strept_roseosporus_Mix1_SampleB3.mzML

MSV000081116/ccms_peak/ISP2/Streptomyces roseosporus NRRL 15998/Strept_roseosporus_Mix5_SampleB7.mzML

Spectral Match to 5,6-Epoxy-8Z,11Z,14Z-eicosatrienoic acid from NIST14

Spectral Match to 9Z,11E,13E-Octadecatrienoic acid ethyl ester from NIST14

Spectral Match to 2-tert-Butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol from NIST14

Spectral Match to Benzaldehyde, 2-hydroxy-5-methoxy- from NIST14

Spectral Match to 2-[(4-Aminobenzoyl)amino]acetic acid from NIST14

MSV000081116/ccms_peak/TSB/Pseudomonas synxantha 32/P_syn_32_Mix6_SampleF8.mzML

Spectral Match to 1-Octadecyl-2-acetyl-sn-glycero-3-phosphocholine from NIST14

MSV000081116/ccms_peak/TSB/Pseudomonas sp WCS312/P_sp_WCS312_Mix4_SampleE6.mzML

Spectral Match to R-Palmitoyl-(2-methyl) ethanolamide from NIST14

emgentry/BA multiplex reactions/mzMLs_2/20A-2_20210128110402.mzML