| SpectraBase Spectrum ID |
1hMGLdnnFnc |
| Name |
Cocaine-M (di-HO-methoxy-HO-ring) isomer-2 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-405.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H25NO7 |
| InChI |
InChI=1S/C19H25NO7/c1-20-11-5-6-12(20)16(19(23)26-4)13(9-11)27-18(22)10-7-14(24-2)17(21)15(8-10)25-3/h7-8,11-13,16,21H,5-6,9H2,1-4H3 |
| InChIKey |
UBXRZEXPLXSLTN-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OC1=C(C=C(C=C1OC)C(OC1CC2CCC(C1C(OC)=O)N2C)=O)OC |
| 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 |
