Camptotheca acuminata Species Overview
Experiment: MPGR (group 1)
Sample Name ![]() | Replicates |
---|---|
Bark - Young | 4 |
Leaf - Immature (25 75%) | 3 |
Leaf - Mature (Fully Expanded) | 3 |
Root - Entire Root | 4 |
Platform: Campotheca acuminata - LC/TOF MS Positive Ion
+ LC-TOF MetadataProtocol for LC-TOF | |
LabPI | A. Daniel Jones |
Analyst | Mary Dawn Celiz |
LC system | Prominence High Performace Liquid Chromatograph |
Manufacturer | Shimadzu |
Degasser | DGU-20A5 |
Solvent Delivery | LC-20AD |
System Controller | SCL-10AVP |
Autosampler | SIL-50000 |
Column Oven | CTO-20A |
Column | Ascentis® Express C18 Analytical HPLC column, 5 cm x 0.21 cm, 2.7 µm |
Manufacturer of column | Supelco |
Catalogue number | 53822-U |
Serial number | USMD002915 |
Packing Lot number | S09038 |
Injection volume | 10 µL |
Flow rate | 0.3 mL/min |
Mobile phases | |
A | 10 mM NH4HCOO, pH 2.85 |
B | MeOH |
Gradient Profile | Gradient program started with 1% B- 99% A, held for one minute, increased to 25% B in nine minutes, then 99% B in 14 minutes, held at 99 % B for three minutes, decreased to 1% B in one minute, held at 1% B for three minutes resulting to a total run time |
Column oven temperature | 50?C |
Sample temperature in the autosampler | 10?C |
Inlet method name | NIH_Campt_OPT_AscExp_002 |
Mass Spectrometer | Micromass® LCT PremierTM time-of-flight (TOF) mass spectrometer |
Manufacturer | Waters |
Software | MassLynxTM Version 4.1 |
Ionization source | Electrospray ionization (ESI) |
Data acquisition | W mode, centroid |
Polarity | Positive and Negative |
Mass Range | m/z 50-1500 |
Aperture 1 voltage | |
Function 1 | 20 V |
Function 2 | 40 V |
Function 3 | 60 V |
Function 4 | 80 V |
MS method file | MDC_OPT_pos or MDC_OPT_neg |
Manipulation of data | |
Lock mass | Ciprofloxacin was used as lock mass standard. |
+ MarkerLynx Metadata
Protocol for MarkerLynx | |
Function | 1 |
Initial Retention Time (min) | 0.35 |
Final Retention Time (min) | 20 |
Low Mass | 50 |
High Mass | 1500 |
Mass Tolerance (Da) | 0.05 |
Apex Track Peak Parameters | |
Peak Width at 5% Height (seconds) | 25 |
Peak-to-Peak Baseline Noise | 150 |
Collection Parameters | |
Masses per Retention Time | 20 |
Minimum Intensity ( as a percentage of the ba | 5 |
Mass Window (Da) | 0.05 |
Retention Time Window (min) | 0.35 |
Noise Elimintation Level | 20 |
Deisotope Data | YES |
+ QuanLynx Metadata
Protocol for QuanLynx | |
Include Primary Trace in Response | YES |
Use absolute mass window | YES |
Chromatogram Mass Window (Da) | 0.05 |
Response Type | External (absolute) |
Response Uses | Area |
Acquisition Function Number | 1 |
Concentration of Standard (µM) | 0.1, 0.5, 1, 2.5, 5, 10 |
Retention Time Parameters | |
Locate Peak Using | Retention Time |
Retention Time Window (min) ± | 0.5 |
Locate Peak Selection | Largest |
Calibration Properties | |
Polynomial Type | Linear |
Origin | Force |
Weighing Function | 1/X |
Axis Transformation | None |
Concentration Units | µM |
Integration Properties | |
Smoothing Enabled | YES |
Smooth Parameters | |
Smoothing Method | Mean |
Smooting Iterations | 1 |
Smoothing Width | 2 |
Apex Track Enables | NO |
Apex Track Parameters | |
Peak-to-Peak Baseline Noise | Automatic |
Peak width at 5% height | Automatic |
Metabolite Search
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Chemically defined metabolites in this experiment:
10-Hydroxycamptothecin[M+H]+ MDC-Cam-HPLC-E-POS-F1-365.113-12.79
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-751.215-12.77
Camptothecin
[3M+Na]+ MDC-Cam-HPLC-E-POS-F1-1067.338-14.1
[M+H]+ MDC-Cam-HPLC-E-POS-F1-349.116-14.03
[M+Na]+ MDC-Cam-HPLC-E-POS-F1-371.108-14.08
[2M+H]+ MDC-Cam-HPLC-E-POS-F1-697.232-14.08
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-719.204-14.02
[2M+K]+ MDC-Cam-HPLC-E-POS-F1-735.196-14.07
Chlorogenic acid, isomer 1
[M+H]+ MDC-Cam-HPLC-E-POS-F1-355.101-4.14
[M+NH4]+ MDC-Cam-HPLC-E-POS-F1-372.139-4.14
[M+K]+ MDC-Cam-HPLC-E-POS-F1-393.068-4.16
[2M+NH4]+ MDC-Cam-HPLC-E-POS-F1-726.241-4.16
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-731.195-4.12
Chlorogenic acid, isomer 2
[M+H]+ MDC-Cam-HPLC-E-POS-F1-355.111-5.88
[M+NH4]+ MDC-Cam-HPLC-E-POS-F1-372.138-5.87
Ciprofloxacin
[M+H]+ MDC-Cam-HPLC-E-POS-F1-332.141-7
Coumaroyl quinic acid
fragment MDC-Cam-HPLC-E-POS-F1-147.049-5.47
[M+H]+ MDC-Cam-HPLC-E-POS-F1-339.111-5.5
[M+Na]+ MDC-Cam-HPLC-E-POS-F1-361.1-5.48
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-699.203-5.47
Deoxypumiloside isomer 1
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-1015.355-14.85
[M+H]+ MDC-Cam-HPLC-E-POS-F1-497.187-14.86
[2M+H]+ MDC-Cam-HPLC-E-POS-F1-993.37-14.86
Deoxypumiloside isomer 2
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-1015.344-15.67
[M+H]+ MDC-Cam-HPLC-E-POS-F1-497.188-15.68
[2M+H]+ MDC-Cam-HPLC-E-POS-F1-993.365-15.67
Hydroxy (or epoxy) strictosidine
[M+H]+ MDC-Cam-HPLC-E-POS-F1-515.199-8.9
Kaempferol hexoside, p-coumaroyl ester, isomer 1
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-1211.287-14.25
[M+H]+ MDC-Cam-HPLC-E-POS-F1-595.157-14.26
[M+Na]+ MDC-Cam-HPLC-E-POS-F1-617.139-14.26
Kaempferol hexoside, p-coumaroyl ester, isomer 2
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-1211.275-14.86
[M+H]+ MDC-Cam-HPLC-E-POS-F1-595.152-14.92
[M+Na]+ MDC-Cam-HPLC-E-POS-F1-617.131-14.87
Kaempferol-3-O-hexoside isomer 1
fragment MDC-Cam-HPLC-E-POS-F1-287.061-10.7
[M+H]+ MDC-Cam-HPLC-E-POS-F1-449.112-10.71
Kaempferol-3-O-hexoside isomer 2
fragment MDC-Cam-HPLC-E-POS-F1-287.061-11.36
[M+H]+ MDC-Cam-HPLC-E-POS-F1-449.105-11.31
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-919.203-11.29
Loganic acid
[M+H]+ MDC-Cam-HPLC-E-POS-F1-377.143-5.51
[M+NH4]+ MDC-Cam-HPLC-E-POS-F1-394.168-5.49
[2M+NH4]+ MDC-Cam-HPLC-E-POS-F1-770.316-5.54
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-775.281-5.61
Methoxycamptothecin
[M+H]+ MDC-Cam-HPLC-E-POS-F1-379.135-15.22
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-779.242-15.22
Pumiloside isomer 1
[2M+H]+ MDC-Cam-HPLC-E-POS-F1-1025.365-12.29
[M+H]+ MDC-Cam-HPLC-E-POS-F1-513.183-12.3
Pumiloside isomer 2
[2M+H]+ MDC-Cam-HPLC-E-POS-F1-1025.377-13.4
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-1047.359-13.48
[M+H]+ MDC-Cam-HPLC-E-POS-F1-513.185-13.46
Quercetin-3-O-hexoside
fragment MDC-Cam-HPLC-E-POS-F1-303.057-9.92
[M+H]+ MDC-Cam-HPLC-E-POS-F1-465.097-9.84
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-951.193-9.85
Secologanic acid
[M+H]+ MDC-Cam-HPLC-E-POS-F1-375.128-6
Stricosamide isomer 2
[M+H]+ MDC-Cam-HPLC-E-POS-F1-499.204-16.7
Strictosamide diol
[M+H]+ MDC-Cam-HPLC-E-POS-F1-533.214-15.15
Strictosamide isomer 1
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-1019.407-15.36
[M+H]+ MDC-Cam-HPLC-E-POS-F1-499.21-15.38
[2M+H]+ MDC-Cam-HPLC-E-POS-F1-997.425-15.37
Strictosamide isomer 2
[2M+Na]+ MDC-Cam-HPLC-E-POS-F1-1019.405-16.7
[2M+H]+ MDC-Cam-HPLC-E-POS-F1-997.425-16.7
Strictosidinic acid isomer 1
[2M+H]+ MDC-Cam-HPLC-E-POS-F1-1033.427-9.5
[M+H]+ MDC-Cam-HPLC-E-POS-F1-517.215-9.51
Strictosidinic acid isomer 2
[2M+H]+ MDC-Cam-HPLC-E-POS-F1-1033.419-10.33
[M+H]+ MDC-Cam-HPLC-E-POS-F1-517.212-10.38
sucrose
[M+Na]+ MDC-Cam-HPLC-E-POS-F1-365.111-0.46
[M+K]+ MDC-Cam-HPLC-E-POS-F1-381.081-0.47
Telmisartan
[M+H]+ MDC-Cam-HPLC-E-POS-F1-515.239-17.4
Tryptamine
fragment MDC-Cam-HPLC-E-POS-F1-144.085-2.31
[M+H]+ MDC-Cam-HPLC-E-POS-F1-161.112-2.31
Vogeloside isomer 1
[M+H]+ MDC-Cam-HPLC-E-POS-F1-389.144-7.86
[M+Na]+ MDC-Cam-HPLC-E-POS-F1-411.137-7.82
[M+K]+ MDC-Cam-HPLC-E-POS-F1-427.109-7.83
Vogeloside isomer 2
[M+H]+ MDC-Cam-HPLC-E-POS-F1-389.143-8.18