Ojima:KNA00520n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
G008+ Score:6.64 F025+ Score:6.64 H025+ Score:6.23 T015+ Score:6.23 C012+ Score:6.23 A039+ Score:6.23	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 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。

Links

Page list for each fragment
Pages Related to Peak C9H12N3O3:   A039+  C012+   Pages Related to Peak C5H9N2O3S:   G008+   Pages Related to Peak C5H7N2O3:   F025+   Pages Related to Peak C4H7N2O:   T015+  H025+

Annotations

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。

KNA00520n	306 C10H16N3O6S	288 C10H14N3O5S	272 C10H14N3O6	254 C10H12N3O5	210 C9H12N3O3	179 C8H7N2O3	177 C5H9N2O3S	160 C5H6NO3S	143 C5H7N2O3	128 C5H6NO3	99 C4H7N2O
306 C10H16N3O6S
288 C10H14N3O5S	H2O
272 C10H14N3O6	H2S
254 C10H12N3O5	H4OS	H2S	H2O
210 C9H12N3O3	CH4O3S	CH2O2S	CH2O3	CO2
179 C8H7N2O3	C2H9NO3S	C2H7NO2S	C2H7NO3	C2H5NO2	CH5N
177 C5H9N2O3S	C5H7NO3	C5H5NO2
160 C5H6NO3S	C5H10N2O3	C5H8N2O2					H3N
143 C5H7N2O3	C5H9NO3S	C5H7NO2S	C5H7NO3	C5H5NO2	C4H5N	C3	H2S
128 C5H6NO3	C5H10N2O3S	C5H8N2O2S	C5H8N2O3	C5H6N2O2	C4H6N2	C3HN	H3NS	S	HN
99 C4H7N2O	C6H9NO5S	C6H7NO4S	C6H7NO5	C6H5NO4	C5H5NO2	C4O2	CH2O2S		CO2

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