| SpectraBase Spectrum ID |
1shoUNpRTqJ |
| Name |
Escholzine |
| CAS Registry Number |
4040-75-9 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-350.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H17NO4 |
| InChI |
InChI=1S/C19H17NO4/c1-20-14-2-10-4-16-18(23-8-21-16)6-12(10)15(20)3-11-5-17-19(7-13(11)14)24-9-22-17/h4-7,14-15H,2-3,8-9H2,1H3/t14-,15-/m0/s1 |
| InChIKey |
PGINMPJZCWDQNT-GJZGRUSLSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
C=12[C@]3(N([C@@](CC2=CC2=C(C1)OCO2)(C=1C(C3)=CC=2OCOC2C1)[H])C)[H] |
| 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 |
