Ojima:KOX00267n

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Ion Frequency

Prec.-Product

Neutral Loss

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L-Gln

IDs and Links
MassBank	L-Gln
CAS	56-85-9
Keio ID	G018-

Top 10 Similar Molecules of L-Gln

Ranking	About scoring
T015+ Score:21.67 T014+ Score:15.44 D038+ Score:13.94 I014+ Score:11.66 F025+ Score:10.16 E056+ Score:7.7 T020+ Score:7.7 M114+ Score:7.7 G018+ Score:7.7 F034+ Score:7.7	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。

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Page list for each fragment

Pages Related to Peak C5H7N2O2:   T014+  T015+  I014+   Pages Related to Peak C5H5N2O:   T014+  T015+  I014+  M029+   Pages Related to Peak C4H9N2O:   F025+  D038+   Pages Related to Peak C4H7N2O:   T015+  H025+   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。

KOX00267n	145 C5H9N2O3	128 C5H6NO3	127 C5H7N2O2	109 C5H5N2O	101 C4H9N2O	99 C4H7N2O	84 C4H6NO	74 C2H4NO2	42 CNO
145 C5H9N2O3
128 C5H6NO3	H3N
127 C5H7N2O2	H2O
109 C5H5N2O	H4O2		H2O
101 C4H9N2O	CO2
99 C4H7N2O	CH2O2		CO		H2
84 C4H6NO	CH3NO2	CO2	CHNO		H3N	HN
74 C2H4NO2	C3H5NO	C3H2O	C3H3N
42 CNO	C4H9NO2	C4H6O2	C4H7NO	C4H5N	C3H9N	C3H7N	C3H6	CH4O

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