Results for:
PubChem ID: 802

2-(1H-indol-3-yl)acetic Acid

Mass-Spectra

Compound Details

Synonymous names
indole-3-acetic acid
87-51-4
indoleacetic acid
3-Indoleacetic acid
Heteroauxin
1H-Indole-3-acetic acid
1H-indol-3-ylacetic acid
2-(1H-Indol-3-yl)acetic acid
Rhizopin
auxin
Rhizopon A
Indol-3-ylacetic acid
3-Iaa
3-(Carboxymethyl)indole
3-Indolylacetic acid
Hexteroauxin
beta-Indoleacetic acid
IAA
indoleacetate
Acetic acid, indolyl-
Heteroauxinhexteroauxiniaa
Indolylacetic acid
beta-Indolylacetic acid
Indolyl-3-acetic acid
omega-Skatole carboxylic acid
Kyselina 3-indolyloctova
(1H-Indol-3-yl)-acetic acid
Indoleacetic acid (VAN)
(indol-3-yl)acetate
CCRIS 1014
EPA Pesticide Chemical Code 128915
Kyselina 3-indolyloctova [Czech]
(indol-3-yl)acetic acid
AI3-24131
2-(3-Indolyl)acetic acid
NSC 3787
2-(indol-3-yl)ethanoic acid
3-Indolylessigsaeure
.alpha.-IAA
.beta.-IAA
3-indole acetic acid
3-Indole-Acetic acid
.beta.-Indoleacetic acid
MFCD00005636
.beta.-Indolylacetic acid
.beta.-Indole-3-acetic acid
CHEMBL82411
(1H-Indol-3-yl)acetic acid
.omega.-Skatole carboxylic acid
DTXSID5020738
CHEBI:16411
.alpha.-Indol-3-yl-acetic acid
Indole--d5-3-acetic--d2 Acid
NSC3787
6U1S09C61L
NSC-3787
3-indoleacetate
DTXCID70738
(1H-indol-3-yl)acetate
CAS-87-51-4
IES
SMR000471855
Indole 3-acetic acid
3-indolyl acetic acid
EINECS 201-748-2
Indolylacetate
b-Indoleacetate
UNII-6U1S09C61L
b-Indolylacetate
3-Indolylacetate
alpha-IAA
beta-Indoleacetate
beta-IAA
1H-Indole-3-acetic acid (9CI)
beta-Indolylacetate
Indol-3-ylacetate
Indolyl-3-acetate
Skatole carboxylate
b-Indoleacetic acid
IAC
b-Indolylacetic acid
Indole-3acetic acid
3-indolyl-acetic acid
1H-Indole-3-acetate
Skatole carboxylic acid
Acid, 6
2-(3-Indolyl)acetate
Indole-3-acetic-t acid
1H-indol-3-acetic acid
Maybridge1_006755
1H-Indole 3-acetic acid
beta-Indole-3-acetic acid
bmse000177
(1H-Indol-3-yl)-acetate
3-Indoleacetic acid, 98%
3-Indoleacetic acid, 99%
Oprea1_602123
SCHEMBL26344
MLS001066408
MLS001331664
MLS001332399
MLS001332400
3-Indolylmethylcarboxylic acid
alpha-Indol-3-yl-acetic acid
Indole-3-acetic acid (8CI)
INDOLEACETIC ACID [MI]
WLN: T56 BMJ D1VQ
[3H]-IAA
3-Indolyl acetic acid 100 microg/mL in Acetonitrile
HMS560L01
AMY2736
INDOLE ACETIC ACID [INCI]
2-(1H-indol-3-yl)-acetic acid
HMS2269G24
HMS3604M04
BCP26623
Tox21_202284
Tox21_302731
BBL009348
BDBM50201883
CCG-51070
s4799
STK397461
AKOS000119890
1H-Indole-3-acetic-a-t acid (9CI)
AC-2974
CG-0522
CS-6287
DB07950
MCULE-9266736782
SDCCGMLS-0066204.P001
3-Indoleacetic acid, >=98.0% (T)
NCGC00247039-01
NCGC00247039-02
NCGC00256391-01
NCGC00259833-01
HY-18569
SY003464
DB-011566
EU-0099905
I0022
NS00014849
3-Indoleacetic acid, technical, >=95% (T)
EN300-17303
C00954
I-1000
I-1040
Q411208
SR-01000596909
2-(1H-indol-3-yl)acetic acid;Indole-3-acetic acid
3-Indoleacetic acid, SAJ special grade, >=98.5%
IS_INDOLE-2,4,5,6,7-D5-3-ACETIC ACID
SR-01000596909-1
SR-01000596909-2
Z56913182
2-(3-Indolyl)acetic acid 3-(Carboxymethyl)-1H-indole
3-Indoleacetic acid, PESTANAL(R), analytical standard
F0722-8837
0A0524AE-D755-4E91-A73A-2AD867FE676A
3-Indoleacetic acid, plant cell culture tested, crystalline
InChI=1/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13
Microorganism:

Yes

IUPAC name2-(1H-indol-3-yl)acetic acid
SMILESC1=CC=C2C(=C1)C(=CN2)CC(=O)O
InchiInChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
FormulaC10H9NO2
PubChem ID802
Molweight175.18
LogP1.4
Atoms13
Bonds2
H-bond Acceptor2
H-bond Donor2
Chemical Classificationcarboxylic acids heterocyclic compounds nitrogen compounds aromatic compounds
CHEBI-ID16411
Supernatural-IDSN0343365

mVOC Specific Details

MS-Links
MS-MS Spectrum 3569 - EI-B (HITACHI M-80) Positive
MS-MS Spectrum 321 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 3579 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Positive
MS-MS Spectrum 12899
MS-MS Spectrum 20546
MS-MS Spectrum 3588 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V Positive
MS-MS Spectrum 19573
MS-MS Spectrum 3572 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 3587 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive
MS-MS Spectrum 3575 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Positive
MS-MS Spectrum 319 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 3573 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 12901
MS-MS Spectrum 3578 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Positive
MS-MS Spectrum 19572
MS-MS Spectrum 320 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 3571 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 3589 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
MS-MS Spectrum 3586 - LC-ESI-QQ (UPLC Waters, Quattro Ultima Pt Micromass) Positive
MS-MS Spectrum 3576 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Positive
MS-MS Spectrum 19571
MS-MS Spectrum 3577 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Positive
MS-MS Spectrum 3574 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative
MS-MS Spectrum 3570 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 12900
1D-NMR-Links
Massbank-Links
Massbank Spectrum MSBNK-Athens_Univ-AU279601
Massbank Spectrum MSBNK-Athens_Univ-AU279603
Massbank Spectrum MSBNK-Athens_Univ-AU279604
Massbank Spectrum MSBNK-Athens_Univ-AU279605
Massbank Spectrum MSBNK-Athens_Univ-AU279606
Massbank Spectrum MSBNK-BGC_Munich-RP016601
Massbank Spectrum MSBNK-BGC_Munich-RP016602
Massbank Spectrum MSBNK-BGC_Munich-RP016603
Massbank Spectrum MSBNK-BGC_Munich-RP016611
Massbank Spectrum MSBNK-BGC_Munich-RP016612
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001408
Massbank Spectrum MSBNK-IPB_Halle-PB000510
Massbank Spectrum MSBNK-IPB_Halle-PB000511
Massbank Spectrum MSBNK-IPB_Halle-PB000512
Massbank Spectrum MSBNK-IPB_Halle-PB000513
Massbank Spectrum MSBNK-IPB_Halle-PB000514
Massbank Spectrum MSBNK-Kazusa-KZ000036
Massbank Spectrum MSBNK-Kazusa-KZ000142
Massbank Spectrum MSBNK-Kazusa-KZ000143
Massbank Spectrum MSBNK-Kazusa-KZ000144
Massbank Spectrum MSBNK-Keio_Univ-KO001226
Massbank Spectrum MSBNK-Keio_Univ-KO001227
Massbank Spectrum MSBNK-Keio_Univ-KO001228
Massbank Spectrum MSBNK-Keio_Univ-KO001229
Massbank Spectrum MSBNK-Keio_Univ-KO001230
Massbank Spectrum MSBNK-Keio_Univ-KO003212
Massbank Spectrum MSBNK-Keio_Univ-KO003213
Massbank Spectrum MSBNK-Keio_Univ-KO003214
Massbank Spectrum MSBNK-Keio_Univ-KO003215
Massbank Spectrum MSBNK-Keio_Univ-KO003216
Massbank Spectrum MSBNK-LCSB-LU019051
Massbank Spectrum MSBNK-LCSB-LU019052
Massbank Spectrum MSBNK-LCSB-LU019053
Massbank Spectrum MSBNK-LCSB-LU019054
Massbank Spectrum MSBNK-LCSB-LU019055
Massbank Spectrum MSBNK-LCSB-LU019056
Massbank Spectrum MSBNK-Metabolon-MT000032
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS025501
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS025502
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS025503
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS025504
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS025505
Massbank Spectrum MSBNK-RIKEN_ReSpect-PT102550
Massbank Spectrum MSBNK-RIKEN_ReSpect-PT102553
Massbank Spectrum MSBNK-RIKEN_ReSpect-PT202550
Massbank Spectrum MSBNK-RIKEN-PR010197
Massbank Spectrum MSBNK-RIKEN-PR010198
Massbank Spectrum MSBNK-RIKEN-PR020128
Massbank Spectrum MSBNK-RIKEN-PR100148
Massbank Spectrum MSBNK-RIKEN-PR100149
Massbank Spectrum MSBNK-RIKEN-PR100570

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPantoea AgglomeransAssociated with plant growth promotion (especially root initiation and elongation)NASergeeva et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPantoea AgglomeransDworkin and Foster minimal salts mediumEthyl-acetate extraction and HPLCno