Results for:
PubChem ID: 3469

2,5-dihydroxybenzoic Acid

Mass-Spectra

Compound Details

Synonymous names
2,5-DIHYDROXYBENZOIC ACID
gentisic acid
490-79-9
Hydroquinonecarboxylic acid
5-Hydroxysalicylic acid
Benzoic acid, 2,5-dihydroxy-
Gentisate
Gensigen
Gensigon
2,5-Dioxybenzoic acid
2,5-Dhba
Gentisinic acid
Salicylic acid, 5-hydroxy-
Carboxyhydroquinone
Kyselina gentisinova
Gentisic acid [INN]
Gentisinate
MFCD00002460
NSC 27224
Kyselina 2,5-dihydroxybenzoova
3,6-dihydroxybenzoic acid
CHEMBL1461
VP36V95O3T
CHEBI:17189
BENZOIC ACID,2,5-DIHYDROXY
Gentinatre
Gentalpin
Gentasol
Gentidol
Gentisan
Gentisod
Legential
Nagentis
Casate
Gabail
Nagent
Casate sodium
NSC-27224
Gensalate sodium
Sodium-Gent
WLN: QVR BQ EQ
GENTISATE SODIUM
Acido gentisico
Acide gentisique
Acidum gentisicum
Kyselina gentisinova [Czech]
NSC8512
Acide gentisique [INN-French]
Acido gentisico [INN-Spanish]
Acidum gentisicum [INN-Latin]
EINECS 207-718-5
Acido 2,5-diidrossibenzoico [Italian]
2,5-Dihydroxy benzoic acid
BRN 2209119
gentisicacid
Kyselina 2,5-dihydroxybenzoova [Czech]
Acido 2,5-diidrossibenzoico
UNII-VP36V95O3T
AI3-60431
Dihydroxybenzoicacid
GTQ
2,5-Dioxybenzoate
GENOP
5-hydroxy-Salicylate
3,6-Dihydroxybenzoate
Spectrum_001241
2,5dihydroxybenzoic acid
5-hydroxy-Salicylic acid
Spectrum2_000773
Spectrum3_001326
Spectrum4_001821
Spectrum5_000581
2,5,dihydroxybenzoic acid
bmse000326
GENTISIC ACID [II]
GENTISIC ACID [MI]
SCHEMBL3690
2,5-dihydroxy-benzoic acid
2,5-Dihydroxybenzoate, VI
NCIOpen2_000913
Oprea1_039290
BSPBio_003051
KBioGR_002487
KBioSS_001721
4-10-00-01441 (Beilstein Handbook Reference)
MLS002207134
DivK1c_000538
SPBio_000846
GENTISIC ACID [WHO-DD]
DTXSID4060078
HMS501K20
KBio1_000538
KBio2_001721
KBio2_004289
KBio2_006857
KBio3_002271
2,5-Dihydroxybenzoic acid, tech
NINDS_000538
2,5-Dihydroxybenzoic acid, 98%
AMY18270
NSC27224
NSC49098
BBL013232
BDBM50335808
CCG-40154
CK2181
NSC-49098
s3799
STK426343
AKOS003267857
CS-W001179
HY-W001179
MCULE-7171470745
PS-6232
IDI1_000538
NCGC00178325-01
1ST40048
2,5-DIHYDROXYBENZOIC ACID [INCI]
AC-23625
SMR000393742
SY014321
gentisic acid (2,5-dihydroxybenzoic acid)
DB-051598
MESALAZINE IMPURITY G [EP IMPURITY]
D0569
D2933
NS00007790
EN300-81715
2,5-Dihydroxybenzoic acid, analytical standard
C00628
Gentisic acid; Hydroquinonecarboxylic acid; DHB
AE-562/40605400
Q417831
Resorcyllic acid, alphaodium 2,5-dihydroxybenzoate
W-106033
26A2CD0F-7EBD-431F-8BDA-168766205AE1
Z275164274
2,5-Dihydroxybenzoic acid, matrix substance for MALDI-MS, >99.0% (HPLC)
2,5-Dihydroxybenzoic acid, matrix substance for MALDI-MS, >=99.5% (HPLC), Ultra pure
InChI=1/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11
Microorganism:

No

IUPAC name2,5-dihydroxybenzoic acid
SMILESC1=CC(=C(C=C1O)C(=O)O)O
InchiInChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
FormulaC7H6O4
PubChem ID3469
Molweight154.12
LogP1.6
Atoms11
Bonds1
H-bond Acceptor4
H-bond Donor3
Chemical Classificationaromatic compounds organic acids acids phenols benzenoids carboxylic acids
CHEBI-ID17189
Supernatural-IDSN0422872

mVOC Specific Details

MS-Links
MS-MS Spectrum 3114 - MALDI-TOF (Voyager DE-PRO, Applied Biosystems) Positive
MS-MS Spectrum 3117 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
MS-MS Spectrum 3109 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative
MS-MS Spectrum 3106 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 3113 - MALDI-TOF (Voyager DE-PRO, Applied Biosystems) Negative
MS-MS Spectrum 3107 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 201314
MS-MS Spectrum 201315
MS-MS Spectrum 201316
MS-MS Spectrum 235 - Quattro_QQQ 40V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 3116 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive
MS-MS Spectrum 3112 - MALDI-TOF (Voyager DE-PRO, Applied Biosystems) Positive
MS-MS Spectrum 3108 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 3105 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 3110 - MALDI-TOF (Voyager DE-PRO, Applied Biosystems) Positive
MS-MS Spectrum 233 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 234 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 3111 - MALDI-TOF (Voyager DE-PRO, Applied Biosystems) Negative
1D-NMR-Links
Massbank-Links
Massbank Spectrum MSBNK-BS-BS003105
Massbank Spectrum MSBNK-BS-BS003106
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010785
Massbank Spectrum MSBNK-GL_Sciences_Inc-GLS00108
Massbank Spectrum MSBNK-Keio_Univ-KO000574
Massbank Spectrum MSBNK-Keio_Univ-KO000575
Massbank Spectrum MSBNK-Keio_Univ-KO000576
Massbank Spectrum MSBNK-Keio_Univ-KO000577
Massbank Spectrum MSBNK-Keio_Univ-KO000578
Massbank Spectrum MSBNK-Osaka_MCHRI-MCH00002
Massbank Spectrum MSBNK-Osaka_MCHRI-MCH00006
Massbank Spectrum MSBNK-Osaka_MCHRI-MCH00007
Massbank Spectrum MSBNK-Osaka_MCHRI-MCH00016
Massbank Spectrum MSBNK-Osaka_MCHRI-MCH00017
Massbank Spectrum MSBNK-Osaka_Univ-OUF00239
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS095201
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS095207
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS095208
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS095209
Massbank Spectrum MSBNK-RIKEN_ReSpect-PT109520
Massbank Spectrum MSBNK-RIKEN_ReSpect-PT209520
Massbank Spectrum MSBNK-RIKEN-PR100383
Massbank Spectrum MSBNK-RIKEN-PR100832
Massbank Spectrum MSBNK-Waters-WA000502
Massbank Spectrum MSBNK-Waters-WA000503
Massbank Spectrum MSBNK-Waters-WA000504
Massbank Spectrum MSBNK-Waters-WA000505

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAgaricus BlazeinaKoreaKim et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAgaricus BlazeinaHPLCyes