Ojima:KOX00498n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Pantothenate

IDs and Links
MassBank	Pantothenate
CAS	79-83-4
Keio ID	P032-

Top 10 Similar Molecules of Pantothenate

Ranking	About scoring
M110+ Score:6.23 D061+ Score:6.23 T014+ Score:6.23 H064+ Score:6.23 B090+ Score:5.94 A224+ Score:5.94 F008+ Score:5.94 P060+ Score:4.84 D037+ Score:4.84 C044+ Score:4.84	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+

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。

KOX00498n	218 C9H16NO5	146 C6H12NO3	99 C5H7O2	88 C3H6NO2	71 C4H7O	59 C2H3O2	42 CNO
218 C9H16NO5
146 C6H12NO3	C3H4O2
99 C5H7O2	C4H9NO3	CH5NO
88 C3H6NO2	C6H10O3	C3H6O
71 C4H7O	C5H9NO4	C2H5NO2	CO
59 C2H3O2	C7H13NO3	C4H9NO	C3H4	CH3N
42 CNO	C8H16O4	C5H12O2		C2H6O

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