Ojima:PR100777n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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D-(+)-Melezitose

IDs and Links
MassBank	D-(+)-Melezitose
CAS	597-12-6
Keio ID

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

Ranking	About scoring
D083+ Score:21.88 A059+ Score:21.88 G019+ Score:15.93 E015+ Score:12.18 D173+ Score:6.64 P028+ Score:6.23 A204+ Score:4.03 M082+ Score:4.03 M081+ Score:4.03 M011+ Score:4.03	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 C5H7O4:   A059+  G019+  D083+   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 C4H5O2:   A007+  A031+  A059+  E005+  G003+  G005+  G019+  G020+  G043+  G061+  G065+  M067+  M080+  P067+  S049+  A143+  C041+  D038+  D083+  E056+  G046+  G051+  M011+  M081+  M082+  A204+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

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。

PR100777n	503 C18H31O16	323 C12H19O10	179 C6H11O6	161 C6H9O5	143 C6H7O4	131 C5H7O4	119 C4H7O4	113 C5H5O3	101 C4H5O3	89 C3H5O3	85 C4H5O2	71 C3H3O2	59 C2H3O2
503 C18H31O16
323 C12H19O10	C6H12O6
179 C6H11O6	C12H20O10	C6H8O4
161 C6H9O5	C12H22O11	C6H10O5	H2O
143 C6H7O4	C12H24O12	C6H12O6	H4O2	H2O
131 C5H7O4	C13H24O12	C7H12O6	CH4O2	CH2O	C
119 C4H7O4	C14H24O12	C8H12O6	C2H4O2	C2H2O	C2	C
113 C5H5O3	C13H26O13	C7H14O7	CH6O3	CH4O2	CH2O	H2O
101 C4H5O3	C14H26O13	C8H14O7	C2H6O3	C2H4O2	C2H2O	CH2O	H2O	C
89 C3H5O3	C15H26O13	C9H14O7	C3H6O3	C3H4O2	C3H2O	C2H2O	CH2O	C2	C
85 C4H5O2	C14H26O14	C8H14O8	C2H6O4	C2H4O3	C2H2O2	CH2O2	H2O2	CO	O
71 C3H3O2	C15H28O14	C9H16O8	C3H8O4	C3H6O3	C3H4O2	C2H4O2	CH4O2	C2H2O	CH2O	H2O	CH2
59 C2H3O2	C16H28O14	C10H16O8	C4H8O4	C4H6O3	C4H4O2	C3H4O2	C2H4O2	C3H2O	C2H2O	CH2O	C2H2	C

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