Ojima:PR100686n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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rosmarinic acid

IDs and Links
MassBank	rosmarinic acid
CAS	20283-92-5
Keio ID

Top 10 Similar Molecules of rosmarinic acid

Ranking	About scoring
G062+ Score:12.46 A018+ Score:12.46 N028+ Score:10.67 E033+ Score:10.67 M169+ Score:5.54 T002+ Score:5.54 P113+ Score:5.54 V021+ Score:5.13 T126+ Score:5.13 T041+ Score:5.13	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 C9H9O5:   A018+  G062+   Pages Related to Peak C9H7O4:   A018+  G062+   Pages Related to Peak C8H7O2:   C063+  E033+  A137+  N028+  P070+  T041+  T126+  V021+   Pages Related to Peak C7H7O2:   E033+  P113+  T002+  M169+  N028+

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。

PR100686n	359 C18H15O8	197 C9H9O5	179 C9H7O4	161 C9H5O3	135 C8H7O2	133 C8H5O2	123 C7H7O2	73 C2HO3
359 C18H15O8
197 C9H9O5	C9H6O3
179 C9H7O4	C9H8O4	H2O
161 C9H5O3	C9H10O5	H4O2	H2O
135 C8H7O2	C10H8O6	CH2O3	CO2
133 C8H5O2	C10H10O6	CH4O3	CH2O2	CO	H2
123 C7H7O2	C11H8O6	C2H2O3	C2O2		C
73 C2HO3	C16H14O5	C7H8O2	C7H6O	C7H4

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