| SpectraBase Spectrum ID |
1DBoZiFt5Zf |
| Name |
Californidine |
| CAS Registry Number |
18830-99-4 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-365.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H19NO4 |
| InChI |
InChI=1S/C20H20NO4/c1-21(2)15-3-11-5-17-19(24-9-22-17)7-13(11)16(21)4-12-6-18-20(8-14(12)15)25-10-23-18/h5-8,15-16H,3-4,9-10H2,1-2H3/q+1 |
| InChIKey |
HFYKETHYKFKFQE-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
C[N+]1(C2C=3C=C4OCOC4=CC3CC1C1=C(C=C3C(=C1)OCO3)C2)C |
| 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 |
