D011310 - Preservatives, Pharmaceutical > D010226 - Parabens It is used as a food additive .">

Heptyl 4-hydroxybenzoate

Benzoic acid, 4-hydroxy-, N-heptyl ester

Formula: C14H20O3 (236.1412)
Chinese Name: 4-羟基苯甲酸庚酯, 对羟基苯甲酸庚酯
BioDeep ID: BioDeep_00000010104 ( View LC/MS Profile)
SMILES: CCCCCCCOC(=O)C1=CC=C(O)C=C1



Found 7 Sample Hits

m/z Adducts Species Organ Scanning Sample
237.1498 [M+H]+
PPM:5.4
Homo sapiens esophagus DESI ()
LNTO22_1_3 - MTBLS385
Resolution: 75μm, 121x68

Description

237.1495 [M+H]+
PPM:4.2
Homo sapiens esophagus DESI ()
LNTO29_16_2 - MTBLS385
Resolution: 17μm, 95x101

Description

237.1499 [M+H]+
PPM:5.8
Homo sapiens esophagus DESI ()
LNTO22_1_9 - MTBLS385
Resolution: 75μm, 89x74

Description

237.1498 [M+H]+
PPM:5.4
Homo sapiens colorectal adenocarcinoma DESI ()
439TopL, 409TopR, 429BottomL, 419BottomR-profile - MTBLS415
Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

237.1502 [M+H]+
PPM:7.1
Homo sapiens esophagus DESI ()
LNTO22_1_5 - MTBLS385
Resolution: 75μm, 135x94

Description

237.1498 [M+H]+
PPM:5.4
Homo sapiens esophagus DESI ()
LNTO22_1_7 - MTBLS385
Resolution: 75μm, 69x54

Description

237.1502 [M+H]+
PPM:7.1
Homo sapiens esophagus DESI ()
LNTO22_2_1 - MTBLS385
Resolution: 75μm, 89x88

Description


Heptyl 4-hydroxybenzoate, also known as heptylparaben or nipaheptyl, belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. Heptyl 4-hydroxybenzoate is used as a food additive ("EAFUS: Everything Added to Food in the United States. "). Heptyl 4-hydroxybenzoate is a potentially toxic compound. No indication of carcinogenicity to humans (not listed by IARC). These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid. It is used as a food additive . CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5546; ORIGINAL_PRECURSOR_SCAN_NO 5541 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5537; ORIGINAL_PRECURSOR_SCAN_NO 5532 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5548; ORIGINAL_PRECURSOR_SCAN_NO 5545 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5514; ORIGINAL_PRECURSOR_SCAN_NO 5512 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5543; ORIGINAL_PRECURSOR_SCAN_NO 5539 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5543; ORIGINAL_PRECURSOR_SCAN_NO 5540 D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens It is used as a food additive .