| SpectraBase Spectrum ID |
9JC28dAkuLw |
| Name |
Milnaciprane-M (HOOC-)_neg |
| Collision Gas |
N2 |
| Comments |
FTMS - p ESI d Full ms2 [email protected] [50.00-285.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C15H19NO3 |
| InChI |
InChI=1S/C15H19NO3/c1-3-16(4-2)14(19)15(10-12(15)13(17)18)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,17,18) |
| InChIKey |
XGGWVLCLGMDOJE-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
N |
| Ionization Type |
HESI |
| Precursor Ion |
[M-H]- |
| SMILES |
OC(C1C(C2=CC=CC=C2)(C(=O)N(CC)CC)C1)=O |
| 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 |
