| SpectraBase Spectrum ID |
KDH61oE067Y |
| Name |
Tubocurarine |
| CAS Registry Number |
6989-98-6 |
| Collision Energy |
15 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
609.296462042 u |
| Formula |
C37H41N2O6 |
| InChI |
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1 |
| InChIKey |
JFJZZMVDLULRGK-UHFFFAOYSA-O |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
609.743 g/mol |
| Nominal Mass |
609 u |
| Precursor Ion |
[M+H]2+ |
| Precursor m/z |
305.152 |
| SMILES |
COC1=C(C2=C3C(CC[N+](C3CC3=CC(OC4=C(C=C5C(C(N(CC5)C)CC5=CC=C(O2)C=C5)=C4)OC)=C(C=C3)O)(C)C)=C1)O |
| Selected Ion Charge |
2 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_988.2 |
