Ojima:PR100314p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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S-Lactoylglutathione

IDs and Links
MassBank	S-Lactoylglutathione
CAS	25138-66-3
Keio ID

Top 10 Similar Molecules of S-Lactoylglutathione

Ranking	About scoring
L016+ Score:50.23 A204+ Score:3.77 S044+ Score:3.77 M082+ Score:3.77 M081+ Score:3.77 M025+ Score:3.77 G051+ Score:3.77 G046+ Score:3.77 G021+ Score:3.77 G006+ Score:3.77	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 C13H22N3O8S:   L016+   Pages Related to Peak C8H15N2O5S:   L016+   Pages Related to Peak C8H13N2O4S:   L016+   Pages Related to Peak C5H8NO3S:   L016+   Pages Related to Peak C5H10NO2S:   L016+   Pages Related to Peak C4H6NOS:   L016+   Pages Related to Peak C4H6NO:   A031+  A122+  A191+  E005+  F034+  G005+  G018+  G019+  G043+  G062+  G065+  G117+  L016+  M114+  O008+  P092+  R016+  T010+  T014+  T015+  T020+  D038+  D061+  D183+  E056+  G006+  G021+  G046+  G051+  M025+  M081+  M082+  S044+  A204+   Pages Related to Peak C2H6NS:   L016+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00401

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。

PR100314p	380 C13H22N3O8S	251 C8H15N2O5S	233 C8H13N2O4S	162 C5H8NO3S	148 C5H10NO2S	116 C4H6NOS	84 C4H6NO	76 C2H6NS
380 C13H22N3O8S
251 C8H15N2O5S	C5H7NO3
233 C8H13N2O4S	C5H9NO4	H2O
162 C5H8NO3S	C8H14N2O5	C3H7NO2	C3H5NO
148 C5H10NO2S	C8H12N2O6	C3H5NO3	C3H3NO2
116 C4H6NOS	C9H16N2O7	C4H9NO4	C4H7NO3	CH2O2	CH4O
84 C4H6NO	C9H16N2O7S	C4H9NO4S	C4H7NO3S	CH2O2S	CH4OS	S
76 C2H6NS	C11H16N2O8	C6H9NO5	C6H7NO4	C3H2O3	C3H4O2	C2O

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