Results for:
PubChem ID: 3848

2-hydroxy-3-phenylpropanoic Acid

Mass-Spectra

Compound Details

Synonymous names	DL-3-Phenyllactic acid 828-01-3 2-Hydroxy-3-phenylpropanoic acid 3-Phenyllactic acid DL-beta-Phenyllactic acid 2-Hydroxy-3-phenylpropionic acid 2-hydroxy-3-phenyl-propionic acid 156-05-8 DL-Phenyllactic acid beta-Phenyllactic acid Ba 2653 Benzenepropanoic acid, alpha-hydroxy- SC6T4O59BK DL-.beta.-Phenyllactic acid (RS)-2-Hydroxy-3-phenyl-propionic acid CHEBI:25998 NSC-2627 MFCD00065928 b-phenyllactic acid (+/-)-2-Hydroxy-3-phenylpropanoic acid D-(+)-Phenyllactic acid (+-)-3-Phenyllactic acid Benzenepropanoic acid, a-hydroxy- DL-b-Phenyllactic acid DL-alpha-Hydroxycinnamic acid b-Phenyllactate Lactic acid, 3-phenyl-, DL- beta-Phenyllactate 2-hydroxy-3-phenyl-propanoic acid DL-b-Phenyllactate NSC 2627 EINECS 212-580-4 DL-3-Phenyllactate Benzyl-glycolic Acid DL-beta-Phenyllactate Benzenepropanoic acid, .alpha.-hydroxy- DL--Phenyllactic acid beta-phenyl lactic acid (+/-)-2-Hydroxy-3-phenylpropionic acid AI3-50440 a-Hydroxybenzenepropanoate Lactic acid, 3-phenyl- (1)-3-Phenyllactic acid UNII-SC6T4O59BK alpha-Hydroxybenzenepropanoate SCHEMBL57558 2-Hydroxy-3-phenylpropionate 3-Phenyl-2-hydroxypropanoate a-Hydroxybenzenepropanoic acid (+/-)-3-Phenyllactic acid (A+/-)-3-Phenyllactic acid 3-PHENYL-DL-LACTIC ACID CHEMBL1778420 DL-.alpha.-Hydroxycinnamic acid DL-2-Hydroxy-3-phenylpropionate 3-Phenyl-2-hydroxypropanoic acid 3-Phenyl-2-hydroxypropionic acid alpha-Hydroxybenzenepropanoic acid DTXSID30862436 NSC2627 DL-3-Phenyllactic acid, >=98% 2-Hydroxy-3-phenylpropanoic acid # AC1610 DL-2-Hydroxy-3-phenylpropionic acid AKOS009103896 CS-W017878 HY-W017162 MCULE-9508817950 (2rs)-2-hydroxy-3-phenylpropanoic acid (RS)-2-hydroxy-3-phenyl propanoic acid AS-19567 SY020879 SY021341 SY036063 DB-011663 DB-056660 AM20060840 NS00079831 EN300-124810 Benzenepropanoic acid, .alpha.-hydroxy-, (S)- A840451 W-203882 Q10395585 8C1DB5C8-C19C-4963-8F3E-B683EAB4B04F F9995-2643 Z788000648 (R)-3-Phenyllactic acid; (R)-2-Hydroxy-3-phenylpropionic acid
Microorganism:	No
IUPAC name	2-hydroxy-3-phenylpropanoic acid
SMILES	C1=CC=C(C=C1)CC(C(=O)O)O
Inchi	InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
Formula	C9H10O3
PubChem ID	3848
Molweight	166.17
LogP	1.1
Atoms	12
Bonds	3
H-bond Acceptor	3
H-bond Donor	2
Chemical Classification	aromatic alcohols acids benzenoids carboxylic acids aromatic compounds organic acids
CHEBI-ID	25998
Supernatural-ID	SN0396180

mVOC Specific Details

MS-Links	MS-MS Spectrum 201700 MS-MS Spectrum 16329 MS-MS Spectrum 201698 MS-MS Spectrum 4663 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative MS-MS Spectrum 4660 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative MS-MS Spectrum 9658 MS-MS Spectrum 1107 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 201699 MS-MS Spectrum 4662 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative MS-MS Spectrum 9656 MS-MS Spectrum 4659 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative MS-MS Spectrum 9657 MS-MS Spectrum 4661 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative MS-MS Spectrum 1109 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 1108 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 16328 MS-MS Spectrum 16330
MS-Links	GC-MS Spectrum 1269 - GC-MS (2 TMS)
Massbank-Links	Massbank Spectrum MSBNK-Keio_Univ-KO001710 Massbank Spectrum MSBNK-Keio_Univ-KO001711 Massbank Spectrum MSBNK-Keio_Univ-KO001712 Massbank Spectrum MSBNK-Keio_Univ-KO001713 Massbank Spectrum MSBNK-Keio_Univ-KO001714 Massbank Spectrum MSBNK-Metabolon-MT000106 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS098707 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS098708

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Bjerkandera Adusta n/a NA Schulz and Dickschat 2007
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Bjerkandera Adusta n/a n/a no