MassBank:KOX00027p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Adenylosuccinate

IDs and Links
MassBank	Adenylosuccinate
CAS	19046-78-7
Keio ID	A037+

Top 10 Similar Molecules of Adenylosuccinate

Ranking	About scoring
KOX00633p Score:15.96 KOX00245p Score:15.96 KOX00708p Score:13.85 KOX00004p Score:13.85 KOX00711p Score:10.01 KOX00707p Score:10.01 KOX00799p Score:8.59 KOX00120p Score:5.94 KOX00636p Score:5.25 KOX00787p Score:4.76	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。

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Annotations

Precursor	Product	Comments
C14H19N5O11P (464)	C14H16N5O7 (366)	h
C14H19N5O11P (464)	C9H10N5O4 (252)	e
C9H10N5O4 (252)	C9H8N5O3 (234)	IT
C9H10N5O4 (252)	C8H8N5O2 (206)	IT
C9H10N5O4 (252)	C7H6N5O2 (192)	IT
C9H10N5O4 (252)	C5H6N5 (136)	IT
C9H8N5O3 (234)	C8H8N5O2 (206)	IT
C9H8N5O3 (234)	C7H6N5O2 (192)	IT
C9H8N5O3 (234)	C8H6N5O (188)	IT
C9H8N5O3 (234)	C5H6N5 (136)	IT
C8H8N5O2 (206)	C8H6N5O (188)	IT
C8H8N5O2 (206)	C7H8N5 (162)	IT
C7H6N5O2 (192)	C5H6N5 (136)	IT

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。

KOX00027p	464 C14H19N5O11P	366 C14H16N5O7	252 C9H10N5O4	234 C9H8N5O3	206 C8H8N5O2	192 C7H6N5O2	188 C8H6N5O	162 C7H8N5	148 C6H6N5	136 C5H6N5	119 C5H3N4	69 C4H5O
464 C14H19N5O11P
366 C14H16N5O7	H3O4P
252 C9H10N5O4	C5H9O7P	C5H6O3
234 C9H8N5O3	C5H11O8P	C5H8O4	H2O
206 C8H8N5O2	C6H11O9P	C6H8O5	CH2O2	CO
192 C7H6N5O2	C7H13O9P	C7H10O5	C2H4O2	C2H2O	CH2
188 C8H6N5O	C6H13O10P	C6H10O6	CH4O3	CH2O2	H2O
162 C7H8N5	C7H11O11P	C7H8O7	C2H2O4	C2O3	CO2
148 C6H6N5	C8H13O11P	C8H10O7	C3H4O4	C3H2O3	C2H2O2	CO2	C2O	CH2
136 C5H6N5	C9H13O11P	C9H10O7	C4H4O4	C4H2O3	C3H2O2	C2O2	C3O	C2H2	C
119 C5H3N4	C9H16NO11P	C9H13NO7	C4H7NO4	C4H5NO3	C3H5NO2	C2H3NO2	C3H3NO	C2H5N	CH3N	H3N
69 C4H5O	C10H14N5O10P	C10H11N5O6	C5H5N5O3	C5H3N5O2	C4H3N5O	C3HN5O	C4HN5

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