Ojima:PR100218p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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beta-Nicotinamide adenine dinucleotide

IDs and Links
MassBank	beta-Nicotinamide adenine dinucleotide
CAS	53-84-9
Keio ID

Top 10 Similar Molecules of beta-Nicotinamide adenine dinucleotide

Ranking	About scoring
D082+ Score:5.13 D069+ Score:5.13 D067+ Score:5.13 A020+ Score:5.13 Z002+ Score:5.13 F014+ Score:5.13 A037+ Score:5.13 A007+ Score:5.13	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 C5H6N5:   A007+  A037+  F014+  Z002+  A020+  D067+  D069+  D082+

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。

PR100218p	664 C21H28N7O14P2	542 C15H22N5O13P2	524 C15H20N5O12P2	428 C10H16N5O10P2	348 C10H15N5O7P	136 C5H6N5
664 C21H28N7O14P2
542 C15H22N5O13P2	C6H6N2O
524 C15H20N5O12P2	C6H8N2O2	H2O
428 C10H16N5O10P2	C11H12N2O4	C5H6O3	C5H4O2
348 C10H15N5O7P	C11H13N2O7P	C5H7O6P	C5H5O5P	HO3P
136 C5H6N5	C16H22N2O14P2	C10H16O13P2	C10H14O12P2	C5H10O10P2	C5H9O7P

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