MassBank:KOX00785p
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&&C16H18N3S&&C15H14N3S&&C14H10N3S&&C14H13N2S&&C14H12N2S&&C13H9N2S&&C13H8N2S&&C12H7NS&& | &&C16H18N3S&&C15H14N3S&&C14H10N3S&&C14H13N2S&&C14H12N2S&&C13H9N2S&&C13H8N2S&&C12H7NS&& | ||
| − | &&C16H18N3S: C15H14N3S C14H13N2S C14H12N2S | + | &&C16H18N3S: C15H14N3S |
| − | &&C15H14N3S: C14H10N3S C14H13N2S C14H12N2S C13H9N2S C13H8N2S | + | a |
| − | &&C14H10N3S: C13H9N2S C13H8N2S | + | &&C16H18N3S: C14H10N3S** |
| − | &&C14H13N2S: C13H9N2S C12H7NS | + | &&C16H18N3S: C14H13N2S |
| + | d | ||
| + | &&C16H18N3S: C14H12N2S | ||
| + | d,rad. | ||
| + | &&C16H18N3S: C13H9N2S** C13H8N2S** C12H7NS** | ||
| + | &&C15H14N3S: C14H10N3S | ||
| + | IT | ||
| + | &&C15H14N3S: C14H13N2S C14H12N2S | ||
| + | &&C15H14N3S: C13H9N2S | ||
| + | IT | ||
| + | &&C15H14N3S: C13H8N2S | ||
| + | IT | ||
| + | &&C15H14N3S: C12H7NS** | ||
| + | &&C14H10N3S: C13H9N2S C13H8N2S C12H7NS** | ||
| + | &&C14H13N2S: C14H12N2S* C13H9N2S C13H8N2S* | ||
| + | &&C14H13N2S: C12H7NS | ||
| + | IT | ||
&&C14H12N2S: C13H9N2S C13H8N2S C12H7NS | &&C14H12N2S: C13H9N2S C13H8N2S C12H7NS | ||
| − | &&C13H9N2S: C12H7NS | + | &&C13H9N2S: C13H8N2S* C12H7NS |
&&C13H8N2S: C12H7NS | &&C13H8N2S: C12H7NS | ||
}} | }} | ||
Latest revision as of 13:43, 4 November 2009
| General Index | Ion Frequency | Prec.-Product | Neutral Loss | Help |
Methylene blue
| IDs and Links | |
|---|---|
| MassBank | Methylene blue |
| CAS | 61-73-4 |
| Keio ID | M047+ |
Contents |
[edit] Top 10 Similar Molecules of Methylene blue
| Ranking | About scoring |
|---|---|
|
The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules:
|
[edit] Links
| Page list for each fragment |
|---|
[edit] Annotations
| Precursor | Product | Comments |
|---|---|---|
| C16H18N3S (284) | C15H14N3S (268) | a |
| C16H18N3S (284) | C14H13N2S (241) | d |
| C16H18N3S (284) | C14H12N2S (240) | d,rad. |
| C15H14N3S (268) | C14H10N3S (252) | IT |
| C15H14N3S (268) | C13H9N2S (225) | IT |
| C15H14N3S (268) | C13H8N2S (224) | IT |
| C14H13N2S (241) | C12H7NS (197) | IT |
[edit] Precursor-Product Relationship
| About the PP Table (行列表示について) | |
|---|---|
| The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it.
Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds). |
行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。
行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。 |
| KOX00785p | 284 C16H18N3S |
268 C15H14N3S |
252 C14H10N3S |
241 C14H13N2S |
240 C14H12N2S |
225 C13H9N2S |
224 C13H8N2S |
197 C12H7NS |
|---|---|---|---|---|---|---|---|---|
| 284 C16H18N3S |
| |||||||
| 268 C15H14N3S | CH4 |
| ||||||
| 252 C14H10N3S | C2H8 | CH4 |
| |||||
| 241 C14H13N2S | C2H5N | CHN |
| |||||
| 240 C14H12N2S | C2H6N | CH2N | H |
| ||||
| 225 C13H9N2S | C3H9N | C2H5N | CHN | CH4 | CH3 |
| ||
| 224 C13H8N2S | C3H10N | C2H6N | CH2N | CH5 | CH4 | H |
| |
| 197 C12H7NS | C4H11N2 | C3H7N2 | C2H3N2 | C2H6N | C2H5N | CH2N | CHN |
|
