Results for:
PubChem ID: 8468

4-hydroxy-3-methoxybenzoic Acid

Mass-Spectra

Compound Details

Synonymous names	Vanillic acid 4-HYDROXY-3-METHOXYBENZOIC ACID 121-34-6 Acide vanillique p-Vanillic acid Benzoic acid, 4-hydroxy-3-methoxy- 3-Methoxy-4-hydroxybenzoic acid Vanillate m-Anisic acid, 4-hydroxy- VanillicAcid Protocatechuic acid, 3-methyl ester NSC 3987 NSC 674322 4-hydroxy-3-methoxy-Benzoic acid UNII-GM8Q3JM2Y8 4-Hydroxy-3-methoxybenzoate EINECS 204-466-8 GM8Q3JM2Y8 MFCD00002551 BRN 2208364 CHEBI:30816 AI3-19542 NSC-3987 NSC-674322 VA 4-Hydroxy-3-methoxybenzoicacid CHEMBL120568 DTXSID6059522 FEMA NO. 3988 DROXIDOPA METABOLITE (VA) 4-hydroxy-3-methoxy benzoic acid 2-METHOXY-4-CARBOXYPHENOL NSC674322 M-METHOXY-P-HYDROXY-BENZOIC ACID Acid, Vanillic VA (VAN) VNL 4-hydroxy-m-Anisic acid Vanillinsaure p-Vanillate Vanilic acid 4 Hydroxy 3 methoxybenzoic Acid p Hydroxy m methoxy benzoic Acid p-Hydroxy-m-methoxy-benzoic Acid Acid, 4-Hydroxy-3-methoxybenzoic Acid, p-Hydroxy-m-methoxy-benzoic Vanillic Acid,(S) 4-hydroxy-m-Anisate Vanillic acid (M2) Vanillic acid, 97% bmse000486 bmse000614 bmse010205 WLN: QVR DQ CO1 VANILLIC ACID [MI] 3-Methoxy-4-hydroxybenzoate SCHEMBL26179 VANILLIC ACID [INCI] MLS000574833 4-hydroxy-3-methoxy-Benzoate Vanillic acid, >=97%, FG 4-hydroxy-3methoxy benzoic acid DTXCID1033668 4-hydroxyl-3-methoxybenzoic acid NSC3987 4- hydroxy-3-methoxybenzoic acid HMS2197E16 Protocatechuic acid 3-methyl ester HY-N0708 STR02334 BBL011982 BDBM50337364 CK2172 s5343 STL163472 AKOS000113195 CCG-266343 MCULE-2667517874 NCGC00247610-01 1ST40128 AC-11841 BP-13246 SMR000156289 SY001450 DB-003804 Vanillic acid, purum, >=97.0% (HPLC) AM20050239 CS-0009728 NS00014581 V0017 4-HYDROXY-3-METHOXYBENZOIC ACID [FHFI] C06672 EN300-105765 Vanillic acid, Vetec(TM) reagent grade, 97% A804715 Q419672 Q-201921 Z381356666 Vanillic acid, certified reference material, TraceCERT(R) 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:	No
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	168.15
LogP	1.4
Atoms	12
Bonds	2
H-bond Acceptor	4
H-bond Donor	2
Chemical Classification	ethers acids benzenoids organic acids aromatic compounds carboxylic acids phenols
CHEBI-ID	30816
Supernatural-ID	SN0412802

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
Massbank-Links	Massbank Spectrum MSBNK-BS-BS003123 Massbank Spectrum MSBNK-BS-BS003124 Massbank Spectrum MSBNK-BS-BS003125 Massbank Spectrum MSBNK-BS-BS003126 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008196 Massbank Spectrum MSBNK-Keio_Univ-KO001150 Massbank Spectrum MSBNK-Keio_Univ-KO001151 Massbank Spectrum MSBNK-Keio_Univ-KO001152 Massbank Spectrum MSBNK-Keio_Univ-KO001153 Massbank Spectrum MSBNK-Keio_Univ-KO001154 Massbank Spectrum MSBNK-MetaboLights-ML005851

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