Ojima:PR100326p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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gamma-Glu-Cys

IDs and Links
MassBank	gamma-Glu-Cys
CAS	636-58-8
Keio ID

Top 10 Similar Molecules of gamma-Glu-Cys

Ranking	About scoring
G018+ Score:12.55 F034+ Score:12.55 L016+ Score:10.41 G006+ Score:8.62 P092+ Score:8.62 O008+ Score:8.62 G043+ Score:8.62 G019+ Score:8.62 G005+ Score:8.62 E005+ Score:8.62	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 C8H15N2O5S:   L016+   Pages Related to Peak C5H8NO3:   A031+  E005+  F034+  G005+  G018+  G019+  G043+  O008+  P092+  G006+  G008+   Pages Related to Peak C3H6NO2S:   C127+   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 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 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。

PR100326p	251 C8H15N2O5S	188 C7H10NO3S	186 C7H8NO3S	130 C5H8NO3	122 C3H8NO2S	120 C3H6NO2S	85 C4H7NO	84 C4H6NO	74 C2H4NO2
251 C8H15N2O5S
188 C7H10NO3S	CH5NO2
186 C7H8NO3S	CH7NO2	H2
130 C5H8NO3	C3H7NO2S	C2H2S	C2S
122 C3H8NO2S	C5H7NO3	C4H2O	C4O
120 C3H6NO2S	C5H9NO3	C4H4O	C4H2O		H2
85 C4H7NO	C4H8NO4S	C3H3O2S	C3HO2S	CHO2
84 C4H6NO	C4H9NO4S	C3H4O2S	C3H2O2S	CH2O2			H
74 C2H4NO2	C6H11NO3S	C5H6OS	C5H4OS	C3H4O	CH4S	CH2S

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