Ojima:PR100858n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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D-Pantothenic acid

IDs and Links
MassBank	D-Pantothenic acid
CAS	79-83-4
Keio ID

Top 10 Similar Molecules of D-Pantothenic acid

Ranking	About scoring
M110+ Score:6.23 D061+ Score:6.23 T014+ Score:6.23 H064+ Score:6.23 D083+ Score:5.94 B090+ Score:5.94 A224+ Score:5.94 F008+ Score:5.94 E015+ Score:5.94 A059+ Score:5.94	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 C6H12NO3:   H064+  D061+   Pages Related to Peak C5H7O2:   T014+  M110+   Pages Related to Peak C3H6NO2:   A016+  A017+  A039+  C015+  F025+  S002+  X004+  A064+  C044+  D037+  P060+   Pages Related to Peak C4H7O:   F008+  A224+  B090+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00498

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。

PR100858n	218 C9H16NO5	146 C6H12NO3	99 C5H7O2	88 C3H6NO2	71 C4H7O	71 C3H3O2
218 C9H16NO5
146 C6H12NO3	C3H4O2
99 C5H7O2	C4H9NO3	CH5NO
88 C3H6NO2	C6H10O3	C3H6O
71 C4H7O	C5H9NO4	C2H5NO2	CO
71 C3H3O2	C6H13NO3	C3H9NO	C2H4	H3N

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