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Phenolic Acids & Alcohols Standard Mixture - 4

TABLE OF COMPOSITION

CAS
Verified Purity
RT
Mass
Comp
149-91-7
>99.9%
1.915
170.0215
1.0 mM (0.017%)
99-10-5
98.1%
3.320
154.0266
1.0 mM (0.015%)
501-94-0
99.7%
6.865
138.0681
1.0 mM (0.014%)
1078-61-1
99.4%
8.612
182.0579
1.0 mM (0.018%)
121-34-6
98.2%
9.177
168.0423
1.0 mM (0.017%)
89-84-9
>99.9%
19.160
152.0473
1.0 mM (0.015%)
500-99-2
99.0%
20.708
154.063
1.0 mM (0.015%)
501-52-0
>99.9%
24.591
150.0681
1.0 mM (0.015%)
69-72-7
99.8%
19.526
138.0317
1.0 mM (0.014%)
1948-33-0
97%
166.0994
0.5 mM
Methanol
67-56-1
32.0262
99.86%

ANALYSIS RESULTS

Analysis method
Instrument

Agilent HPLC 1290 Series

UV Detector: Agilent 1260 Infinity II Diode Array

ELSD Detector: 1260 Infinity II Evaporative Light Scattering Detector.

MSD: Agilent 6460C QQQ

Column

InfinityLab Poroshell 120 EC-C18, 2.1 x 150 mm, 1.9 µm, narrow bore LC column

Chromatography method
  A: 0.1% Formic acid in H2O
B: 0.1% Formic acid in Acetonitrile  
Time (min) A (%) B (%) Flow (mL/min)
0 95 5 0.3
2 95 5 0.3
15 88 12 0.3
35 45 55 0.3
36 0 100 0.3
38 0 100 0.3
39 95 5 0.3
40 95 5 0.3
Chromatogram
Note

All signals in the above chromatogram are recorded at 220nM.

Note

A peak at 13.7 belongs to 0.5mM TBHQ (tert-butylhydroquinone, CAS# 1948-33-0) which is used as an internal standard. The TBHQ in all solutions comes from the same stock mix and is comparable ampule to ampule.

MS Spectra
To view the spectra

Please refer to the online version of the Certificate of Analysis by scanning the QR code on the product label. Click on the name of the corresponding compound in the Sec 3. Table of composition to view the compound specification.

STABILITY

Shelf life and storage
Shelf-life

A shelf life of at least 2 years has been established for this product. 

Your product expires no eariler than Feb 2025

Real-time Stability Test

No data is available at this moment. For the latest stability results, please visit our website (www.metasci.ca)

Additional Methods

MS2 Transitions for MS/MS
Instrument

Agilent QQQ 6460C - ESI

Column

InfinityLab Poroshell 120 EC-C18, 2.1 x 150 mm, 1.9 µm, narrow bore LC column

Analysis Method
 
  Name Polarity Exact Mass CAS# Fragmentor Precursor Ion Product Ion CE CAV Abundance
1 Gallic acid Positive 170.0215 149-91-7 106 171 81.1 26 4 1366
1 Gallic acid Positive 170.0215 149-91-7 106 171 114.3 6 4 63
1 Gallic acid Negative 170.0215 149-91-7 116 169 125.1 10 4 14399
1 Gallic acid Negative 170.0215 149-91-7 116 169 94.3 34 4 56
2 3,5-Dihydroxybenzoic acid Positive 154.0266 99-10-5 116 155 65.2 22 4 867
2 3,5-Dihydroxybenzoic acid Positive 154.0266 99-10-5 116 155 93.2 14 4 1058
2 3,5-Dihydroxybenzoic acid Negative 154.0266 99-10-5 110 153 109 10 4 8141
2 3,5-Dihydroxybenzoic acid Negative 154.0266 99-10-5 110 153 65.2 10 4 712
3 Tyrosol Negative 138.0681 501-94-0 110 137.1 93.1 18 4 1075
3 Tyrosol Negative 138.0681 501-94-0 110 137.1 119.1 14 4 3559
3 Tyrosol Positive 138.0681 501-94-0 66 161.1 85 10 4 1210
3 Tyrosol Positive 138.0681 501-94-0 66 161.1 97.1 14 4 650
4 Dihydrocaffeic acid Negative 182.0579 1078-61-1 128 181.1 137.1 10 4 6177
4 Dihydrocaffeic acid Negative 182.0579 1078-61-1 128 181.1 59.2 14 4 2457
5 Vanillic acid Negative 168.0423 121-34-6 82 167 152.1 10 4 8179
5 Vanillic acid Negative 168.0423 121-34-6 82 167 108.1 18 4 4499
6 4-Acetylresorcinol Negative 152.0473 89-84-9 110 151 65.2 22 4 7056
6 4-Acetylresorcinol Negative 152.0473 89-84-9 110 151 91.1 22 4 8496
6 4-Acetylresorcinol Positive 152.0473 89-84-9 110 153.1 77.1 38 4 11044
6 4-Acetylresorcinol Positive 152.0473 89-84-9 110 153.1 107.1 18 4 12688
7 3,5-Dimethoxyphenol Positive 154.063 500-99-2 110 155.1 69.2 42 4 5038
7 3,5-Dimethoxyphenol Positive 154.063 500-99-2 110 155.1 95.1 18 4 7599
8 Hydrocinnamic acid Negative 150.0681 501-52-0 110 149.1 105 10 4 680
8 Hydrocinnamic acid Positive 150.0681 501-52-0 72 173.1 85 10 4 2509
9 Salicylic acid Negative 138.0317 69-72-7   88 137 93.1 14 4 29986
9 Salicylic acid Negative 138.0317 69-72-7 88 137 65.2 34 4 3134
9 Salicylic acid Positive 138.0317 69-72-7 100 139 121.1 10 4 13171
9 Salicylic acid Positive 138.0317 69-72-7 100 139 65.2 30 4 6012
  *CE: Collision energy **CAV: Capillary Accelerator Voltage
Notes

- Solvent system used (refer to the ANALYSIS RESULTS -> Chromatography method):

A: 0.1% Formic acid in H2O

B: 0.1% Formic acid in Acetonitrile

- Experimental: Adding 10-100mM ammonium formate to the solvent system may increase the ionization and the signal of the analytes

- Depending on the ion source and the instrument setup, alcohols generally yield lower signal and fragmentation. In such a case, higher injection volume may improve the signal. When the ionization is too week, the sodium adduct (M+Na) is more prominent.

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