| SpectraBase Spectrum ID |
CWlpbaoMccW |
| Name |
Boldine-M (O-demethyl-) isomer-1 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-340.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H19NO4 |
| InChI |
InChI=1S/C18H19NO4/c1-19-4-3-9-6-15(22)18(23-2)17-11-8-14(21)13(20)7-10(11)5-12(19)16(9)17/h6-8,12,20-22H,3-5H2,1-2H3 |
| InChIKey |
CMXOUPGCSOHXFD-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=2C=3C=C(C(=CC3CC3N(CCC(=C1)C23)C)O)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 |
