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Top 10 Similar Molecules of
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About scoring
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- B093+ Score:46.46
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The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules:
代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。
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Links
| [show] Page list for each fragment
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Pages Related to Peak C17H21N2O5S:
B093+
Pages Related to Peak C17H18NO5S:
B093+
Pages Related to Peak C13H10NO5S:
B093+
Pages Related to Peak C17H18NO3:
B093+
Pages Related to Peak C17H16NO2:
B093+
Pages Related to Peak C16H18NO:
B093+
Pages Related to Peak C12H10NO:
B093+
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Annotations
Precursor-Product Relationship
| [show] About the PP Table (行列表示について)
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| 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).
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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。
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./lua: /tmp/mw_ex_lua_KNhs7c:33: attempt to compare number with nil
Illegal ion order (check mass!): H212 < C12H10NO
| [hide] KO009094p
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365
C17H21N2O5S
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348
C17H18NO5S
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292
C13H10NO5S
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284
C17H18NO3
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266
C17H16NO2
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240
C16H18NO
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21
H212
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184
C12H10NO
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| 365 C17H21N2O5S
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| 348 C17H18NO5S
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H3N
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| 292 C13H10NO5S
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C4H11N
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C4H8
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| 284 C17H18NO3
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H3NO2S
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O2S
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| 266 C17H16NO2
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H5NO3S
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H2O3S
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H2O
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| 240 C16H18NO
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CH3NO4S
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CO4S
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CO2
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| 21 H212
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