Dataset

electrospray ionisation quadrupole detection (ESI Q Trap)

dataset for electrospray ionisation quadrupole detection (ESI Q Trap)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C108H82N8/c1-63-55-76(66-44-54-90-92(58-66)112-104-74-52-48-70(116-99-41-25-17-33-87(99)108(9,10)88-34-18-26-42-100(88)116)62-80(74)78-60-68(46-50-72(78)102(104)110-90)114-95-37-21-13-29-83(95)106(5,6)84-30-14-22-38-96(84)114)64(2)56-75(63)65-43-53-89-91(57-65)111-103-73-51-47-69(115-97-39-23-15-31-85(97)107(7,8)86-32-16-24-40-98(86)115)61-79(73)77-59-67(45-49-71(77)101(103)109-89)113-93-35-19-11-27-81(93)105(3,4)82-28-12-20-36-94(82)113/h11-62H,1-10H3
SMILES Cc1cc(c(cc1c1ccc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C)C)c1ccc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C
InChI Key MIKRQTHONBNINE-UHFFFAOYSA-N
Molecular Formula C108H82N8
Exact Mass 1491.860 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MIKRQTHONBNINE-UHFFFAOYSA-N/CHMO0002337
License URL
Source https://www.chemotion-repository.net/inchikey/MIKRQTHONBNINE-UHFFFAOYSA-N/CHMO0002337
Version
Author Jason Hofmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:44:42.182248
MetadataModified 2025-01-29T16:37:11.821358
MetadataPublished 2024-11-25
Field Value
Measurement Technique electrospray ionisation quadrupole detection
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.