Ojima:PR100504n

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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D(+)-Galacturonic acid

IDs and Links
MassBank	D(+)-Galacturonic acid
CAS	685-73-4
Keio ID

Top 10 Similar Molecules of D(+)-Galacturonic acid

Ranking	About scoring
D083+ Score:21.87 A059+ Score:21.87 G019+ Score:15.93 E015+ Score:12.18 D173+ Score:11.67 P067+ Score:9.06 P191+ Score:6.23 P028+ Score:6.23 H015+ Score:6.23 M110+ Score:5.03	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 C5H3O2:   H015+  P191+   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 C3H5O2:   A011+  A015+  A021+  C015+  D173+  P067+  T014+  A052+  M110+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00257

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。

PR100504n	193 C6H9O7	133 C4H5O5	131 C5H7O4	113 C5H5O3	103 C3H3O4	101 C4H5O3	95 C5H3O2	89 C3H5O3	85 C4H5O2	73 C3H5O2	73 C2HO3	71 C3H3O2	59 C2H3O2
193 C6H9O7
133 C4H5O5	C2H4O2
131 C5H7O4	CH2O3
113 C5H5O3	CH4O4		H2O
103 C3H3O4	C3H6O3	CH2O	C2H4
101 C4H5O3	C2H4O4	O2	CH2O	C
95 C5H3O2	CH6O5		H4O2	H2O
89 C3H5O3	C3H4O4	CO2	C2H2O	C2		C
85 C4H5O2	C2H4O5	O3	CH2O2	CO		O
73 C3H5O2	C3H4O5	CO3	C2H2O2	C2O		CO		O	C
73 C2HO3	C4H8O4	C2H4O2	C3H6O	C3H4	CH2O	C2H4		CH4
71 C3H3O2	C3H6O5	CH2O3	C2H4O2	C2H2O	O2	CH2O	C2	H2O	CH2	H2
59 C2H3O2	C4H6O5	C2H2O3	C3H4O2	C3H2O	CO2	C2H2O	C3	CH2O	C2H2	CH2		C

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