Results for:
PubChem ID: 8468

4-hydroxy-3-methoxybenzoic Acid

Mass-Spectra

Compound Details

Synonymous names	Vanillate WKOLLVMJNQIZCI-UHFFFAOYSA-N Acide vanillique Vanillic acid p-Vanillate VA Vanilic acid VNL p-Vanillic acid Protocatechuic acid 3-methyl ester 3-Methoxy-4-hydroxybenzoate 4-Hydroxy-3-methoxybenzoate ACMC-1BPT2 GM8Q3JM2Y8 AC1L1R24 AC1Q46A9 KSC178S8B 4-hydroxy-m-Anisate 4-hydroxyl-3-methoxybenzoic acid NSC3987 PubChem19485 SCHEMBL26179 UNII-GM8Q3JM2Y8 3-Methoxy-4-hydroxybenzoic acid 4-HYDROXY-3-METHOXYBENZOIC ACID 4-hydroxy-3methoxy benzoic acid CTK0H8980 HMDB00484 Protocatechuic acid, 3-methyl ester 4-hydroxy-3-methoxy-Benzoate 4-hydroxy-m-Anisic acid CHEMBL120568 RP23070 RP23071 STR02334 bmse000486 bmse000614 bmse010205 C06672 HMS2197E16 VA (VAN) Vanillic acid, 97% ZINC338275 BBL011982 BT000206 DR000191 DTXSID6059522 MP-2220 NSC 3987 NSC-3987 NSC674322 SBB008280 ST086485 STL163472 TL806364 4-hydroxy-3-methoxy benzoic acid 4-hydroxy-3-methoxy-Benzoic acid CHEBI:30816 Vanillic acid (M2) Vanillic acid, certified reference material, TraceCERT(R) 4CN-1579 AB1002076 AC-11841 AJ-19901 AK-32998 AN-43385 ANW-17590 BP-13246 BR-32998 KB-62227 SC-15609 ST2411458 TRA0086378 WLN: QVR DQ CO1 BB_NC-2254 BDBM50337364 MFCD00002551 AI3-19542 AM20050239 DB-003804 KB-242290 LS-161394 NSC 674322 NSC-674322 RTR-003492 TR-003492 AKOS000113195 Q-201921 S01-0566 Vanillic acid, >=97%, FG BRN 2208364 FT-0650155 m-Anisic acid, 4-hydroxy- MLS000574833 SMR000156289 121-34-6 Benzoic acid, 4-hydroxy-3-methoxy- Z1741973874 Vanillic acid, 98% 25g MCULE-2667517874 NCGC00247610-01 EINECS 204-466-8 Vanillic acid, Vetec(TM) reagent grade, 97% MolPort-000-871-610 Vanillic acid, purum, >=97.0% (HPLC) 198598-EP2277877A1 3E9555E5-85F5-4FCE-A429-5182E959C6A3 InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11
Microorganism:	Yes
IUPAC name	4-hydroxy-3-methoxybenzoic acid
SMILES	COC1=C(C=CC(=C1)C(=O)O)O
Inchi	InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
Formula	C8H8O4
PubChem ID	8468
Molweight	168.148
LogP	1.17
Atoms	20
Bonds	20
H-bond Acceptor	4
H-bond Donor	2
Chemical Classification	carboxylic acids alcohols benzenoids ethers

mVOC Specific Details

MS-Links

MS-MS Spectrum 181257 MS-MS Spectrum 201349 MS-MS Spectrum 178934 MS-MS Spectrum 703 - Quattro_QQQ 40V Negative delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 201344 MS-MS Spectrum 4104 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative MS-MS Spectrum 181258 MS-MS Spectrum 701 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 201346 MS-MS Spectrum 201348 MS-MS Spectrum 201343 MS-MS Spectrum 4105 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative MS-MS Spectrum 201350 MS-MS Spectrum 702 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 178932 MS-MS Spectrum 4103 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative MS-MS Spectrum 178933 MS-MS Spectrum 181259 MS-MS Spectrum 201347 MS-MS Spectrum 4102 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative MS-MS Spectrum 4100 - EI-B (HITACHI M-80) Positive MS-MS Spectrum 4101 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative MS-MS Spectrum 201345

1D-NMR-Links

1D NMR Spectrum 5092 1D NMR Spectrum 5091 1D NMR Spectrum 1390 - Varian 500 MHz 1H NMR

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Fungi Sparassis Crispa na Korea Kim et al., 2008
Method	Kingdom Species Growth Medium Applied Method Verification Fungi Sparassis Crispa na HPLC Yes