### **Comprehensive GC-MS Analysis Report**
**Sample ID:** 6139-2 AAS RAW GCMS
**Date:** 02.05.2025
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#### **1. Confirmed Compounds & CAS Numbers**
| Peak# | R.Time (min) | Compound Name (NIST/MS Library Match) | CAS Number | Area% | Notes |
|-------|--------------|----------------------------------------|------------|-------|-------|
| **8** | 18.949 | **Androsta-1,4-dien-3-one, 17-[(1-oxo-10-undecenyl)oxy]-, (17β)-** | **7287-84-5** (Trestolone Undecylenate) | 91.77% | Dominant peak; synthetic androgen ester. |
| **1** | 5.543 | 10-Undecanoic acid, methyl ester | **1731-86-8** | 4.16% | Esterification byproduct. |
| **3** | 6.179 | 10-Undecanoic acid, ethyl ester | **627-90-7** | 0.74% | Side product of synthesis. |
| **6** | 17.387 | Cholest-5-en-3-ol (3β)-, carbonochloridate | **N/A** (Uncommon derivative) | 0.61% | Sterol artifact or degradation. |
| **7** | 18.758 | **Testosterone Cypionate** (Misassigned?) | **58-20-8** | 0.44% | Contaminant or misidentification (unlikely at this RT). |
| **4** | 16.889 | Methanol adduct (solvent artifact) | **67-56-1** | 0.37% | Residual solvent. |
| **5** | 17.123 | "Anethionite acid" (Likely **Azelaic acid** derivative) | **123-99-9** (Azelaic acid) | 0.58% | Probable misassignment. |
**Key Findings:**
- **Primary Compound**: Trestolone Undecylenate (91.77% purity), a synthetic steroid ester.
- **Impurities**: Undecanoic acid esters (4.9% total), sterol derivatives, and potential solvent residues.
- **Not Detected**: **No Boldenone** (expected RT ~12–14 min) or other common AAS contaminants.
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#### **2. Data Validation Against Databases**
- **PubChem/DrugBank**:
- **Trestolone Undecylenate (7287-84-5)**: Confirmed as a synthetic androgen ester.
- **Testosterone Cypionate (58-20-8)**: Mismatch in RT; likely misassigned (should elute earlier).
- **Undecanoic acid esters**: Confirmed as common synthesis byproducts.
- **NIST Mass Spectral Library**:
- Peak #8 matches Trestolone Undecylenate (base peak m/z 122, characteristic fragments at m/z 269, 281).
- Peak #7 does not align with Testosterone Cypionate’s expected spectrum (suggesting mislabeling).
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#### **3. Potential Errors or Issues**
**A. Sample Preparation/Synthesis Flaws:**
- **Incomplete Esterification**: High % of undecanoic acid esters (Peaks #1, #3) suggests residual reactants.
- **Contamination**:
- **Testosterone Cypionate** (Peak #7) is anomalous; may indicate cross-contamination or column carryover.
- **Cholestadienol derivative** (Peak #6) implies steroidal impurities.
**B. Instrument/Data Analysis Issues:**
- **Misassignments**:
- "Anethionite acid" (Peak #5) is likely **Azelaic acid** or a fragment (no CAS match).
- **Testosterone Cypionate** assignment is suspect (wrong RT/fragmentation pattern).
- **Tuning**: High-concentration tune may skew sensitivity for trace impurities.
**C. Reporting Discrepancies:**
- **Area% Calculation**: Peak #8’s area (16,246,24) is likely a typo (should be 16,246,244, aligning with 91.77%).
- **Missing Spectra**: Page 4 shows m/z fragments but lacks labeled peaks for verification.
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#### **4. Expert Recommendations**
1. **Confirm Identity**:
- Run **NMR or HRMS** on Peak #8 to validate Trestolone Undecylenate.
- Reanalyze Peak #7 with a **Testosterone Cypionate reference standard**.
2. **Purification Needed**:
- **Column chromatography** to remove undecanoic acid esters and sterol impurities.
3. **Method Optimization**:
- Adjust GC gradient to better separate steroidal byproducts (e.g., cholestadienol vs. target compound).
4. **Contamination Check**:
- Blank runs to rule out column/syringe carryover.
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### **Simplified Summary**
- **What’s in the Sample?**
- Mostly **Trestolone Undecylenate** (a steroid), with small amounts of synthesis leftovers (esters) and possible contaminants.
- **Was There a Mistake?**
- Yes: Mislabeled peaks (e.g., "Testosterone Cypionate"), incomplete reaction, or contamination.
- **Next Steps**:
- Purify the main compound and re-run GC-MS with standards for accuracy.
For **full spectra interpretation** or **synthesis troubleshooting**, provide reference files or additional runs.