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4-OH-IndAc33334Gu
General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2013 / P. luctuosa |
| Synonym | — |
| Molecular formula | C₂₇H₄₉N₉O₂ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NCCCNCCCNCCCNCCCNCCCCNC(N)=N |
| InChI | InChI=1S/C27H49N9O2/c28-27(29)35-18-2-1-10-30-11-4-12-31-13-5-14-32-15-6-16-33-17-7-19-34-25(38)20-22-21-36-23-8-3-9-24(37)26(22)23/h3,8-9,21,30-33,36-37H,1-2,4-7,10-20H2,(H,34,38)(H4,28,29,35) |
| |
| Precursor 1 [M+H]⁺ | 532.40820 |
| Precursor 2 [M+2H]²⁺ | 266.70774 |
| Precursor 3 | |
| |
| HDX | 11 |
| Precursor HDX 1 [M(D₁₁)+D]⁺ | 544.48352 |
| Precursor HDX 2 [M(D₁₁)+2D]²⁺ | 273.24854 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 248.13935 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 288.17065 | 270.16009 | 271.14410 | 305.19720 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 345.22850 | 327.21794 | 328.20195 | 362.25505 | 228.21827 | 211.19172 | 245.24482 |
| 4 | 402.28635 | 384.27579 | 385.25980 | 419.31290 | 285.27612 | 268.24957 | 302.30267 |
| 5 | 473.35985 | 455.34929 | 456.33330 | 532.40820 | 342.33397 | 325.30742 | 359.36052 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source |
|---|
| | | | |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| A template approach for the characterization of linear polyamines and derivatives in spider venom | M. Tzouros, S. Chesnov, L. Bigler, S. Bienz, Eur. J. Mass Spectrom. 2013, 19, 57-69 | P. luctuosa | | APCI-MS/MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Pireneitega luctuosa | Agelenidae | 2013 / M. Tzouros |