Ojima:PR100746n

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
F025+ Score:10.57 H025+ Score:6.23 T015+ Score:6.23 K004+ Score:3.93 H050+ Score:3.93 E056+ Score:3.93 D038+ Score:3.93 B026+ Score:3.93 A064+ Score:3.93 T020+ Score:3.93	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 C5H7N2O3:   F025+   Pages Related to Peak C4H7N2O:   T015+  H025+   Pages Related to Peak C2H4NO2:   A016+  A017+  A032+  A039+  A065+  A127+  A140+  B018+  C015+  C094+  F025+  F034+  G018+  G061+  H002+  H048+  H064+  L004+  M003+  M114+  P032+  T003+  T020+  A064+  B026+  D038+  E056+  H050+  K004+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00400

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。

PR100746n	378 C13H20N3O8S	306 C10H16N3O6S	272 C10H14N3O6	254 C10H12N3O5	249 C8H13N2O5S	143 C5H7N2O3	128 C5H6NO3	99 C4H7N2O	74 C2H4NO2
378 C13H20N3O8S
306 C10H16N3O6S	C3H4O2
272 C10H14N3O6	C3H6O2S	H2S
254 C10H12N3O5	C3H8O3S	H4OS	H2O
249 C8H13N2O5S	C5H7NO3	C2H3NO
143 C5H7N2O3	C8H13NO5S	C5H9NO3S	C5H7NO3	C5H5NO2	C3H6O2S
128 C5H6NO3	C8H14N2O5S	C5H10N2O3S	C5H8N2O3	C5H6N2O2	C3H7NO2S	HN
99 C4H7N2O	C9H13NO7S	C6H9NO5S	C6H7NO5	C6H5NO4	C4H6O4S	CO2
74 C2H4NO2	C11H16N2O6S	C8H12N2O4S	C8H10N2O4	C8H8N2O3	C6H9NO3S	C3H3NO	C3H2O

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