Heptyl 4-hydroxybenzoate
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 - MTBLS385Resolution: 75μm, 121x68
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237.1495 | [M+H]+PPM:4.2 |
Homo sapiens | esophagus | DESI () |
LNTO29_16_2 - MTBLS385Resolution: 17μm, 95x101
|
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237.1499 | [M+H]+PPM:5.8 |
Homo sapiens | esophagus | DESI () |
LNTO22_1_9 - MTBLS385Resolution: 75μm, 89x74
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237.1498 | [M+H]+PPM:5.4 |
Homo sapiens | colorectal adenocarcinoma | DESI () |
439TopL, 409TopR, 429BottomL, 419BottomR-profile - MTBLS415Resolution: 17μm, 157x136
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 - MTBLS385Resolution: 75μm, 135x94
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237.1498 | [M+H]+PPM:5.4 |
Homo sapiens | esophagus | DESI () |
LNTO22_1_7 - MTBLS385Resolution: 75μm, 69x54
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237.1502 | [M+H]+PPM:7.1 |
Homo sapiens | esophagus | DESI () |
LNTO22_2_1 - MTBLS385Resolution: 75μm, 89x88
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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 .