Ojima:PR100890n

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Ion Frequency

Prec.-Product

Neutral Loss

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D-(+)-Raffinose

IDs and Links
MassBank	D-(+)-Raffinose
CAS	512-69-6
Keio ID

Top 10 Similar Molecules of D-(+)-Raffinose

Ranking	About scoring
E015+ Score:12.18 D083+ Score:11.89 A059+ Score:11.89 D173+ Score:6.64 P028+ Score:6.23 G019+ Score:5.94	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 C5H5O3:   A059+  G019+  D083+   Pages Related to Peak C4H5O3:   D173+   Pages Related to Peak C3H5O3:   E015+  P028+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

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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。

PR100890n	503 C18H31O16	221 C8H13O7	179 C6H11O6	161 C6H9O5	113 C5H5O3	101 C4H5O3	89 C3H5O3	87 C3H3O3	71 C3H3O2	59 C2H3O2
503 C18H31O16
221 C8H13O7	C10H18O9
179 C6H11O6	C12H20O10	C2H2O
161 C6H9O5	C12H22O11	C2H4O2	H2O
113 C5H5O3	C13H26O13	C3H8O4	CH6O3	CH4O2
101 C4H5O3	C14H26O13	C4H8O4	C2H6O3	C2H4O2	C
89 C3H5O3	C15H26O13	C5H8O4	C3H6O3	C3H4O2	C2	C
87 C3H3O3	C15H28O13	C5H10O4	C3H8O3	C3H6O2	C2H2	CH2	H2
71 C3H3O2	C15H28O14	C5H10O5	C3H8O4	C3H6O3	C2H2O	CH2O	H2O	O
59 C2H3O2	C16H28O14	C6H10O5	C4H8O4	C4H6O3	C3H2O	C2H2O	CH2O	CO	C

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