| SpectraBase Spectrum ID |
JLDvjMwEnHX |
| Name |
Californidine MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-305.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C18H13O4/c1-2-12-6-16-18(22-10-20-16)8-14(12)4-3-13-7-17-15(5-11(1)13)19-9-21-17/h1-3,5-8H,4,9-10H2/q+1/b2-1- |
| InChIKey |
YJNQYJNHLHDJHR-UPHRSURJSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=2\C=C/C3=C([CH+]CC2C=C2C(=C1)OCO2)C=C1OCOC1=C3 |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
