SpectraBase Spectrum ID |
Eul6f0mm3gC |
Name |
Indeloxazine-M (1,2-indandiol-N-acetyl-) |
Collision Gas |
N2 |
Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-330.00] |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
Formula |
C16H21NO5 |
InChI |
InChI=1S/C16H21NO5/c1-10(18)17-5-6-21-11(8-17)9-22-15-4-2-3-12-13(15)7-14(19)16(12)20/h2-4,11,14,16,19-20H,5-9H2,1H3 |
InChIKey |
BUVNTLJNMYVAIH-UHFFFAOYSA-N |
Inlet Type |
UHPLC |
Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
Ion Polarity |
P |
Ionization Type |
HESI |
Precursor Ion |
[M+H]+ |
SMILES |
OC1CC2=C(C=CC=C2C1O)OCC1CN(CCO1)C(C)=O |
Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
Selected Ion Charge |
1 |
Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
Spectrum Type |
ms2 |
Technique |
HCD |