MassBank:KOX00016p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetylneuraminate

IDs and Links
MassBank	N-Acetylneuraminate
CAS	131-48-6
Keio ID	A018+

Top 10 Similar Molecules of N-Acetylneuraminate

[show] Ranking	About scoring
KOX00290p Score:53.77 KOX00736p Score:7.31 KOX00687p Score:7.31 KOX00292p Score:7.31 KOX00067p Score:7.31 KOX00893p Score:3.83 KOX00841p Score:3.83 KOX00799p Score:3.83 KOX00795p Score:3.83 KOX00794p Score:3.83	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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[show] Page list for each fragment

Pages Related to Peak C9H14NO6:   KOX00290p   Pages Related to Peak C9H11O6:   KOX00290p   Pages Related to Peak C9H9O5:   KOX00290p   Pages Related to Peak C9H7O4:   KOX00290p   Pages Related to Peak C8H7O4:   KOX00290p   Pages Related to Peak C8H7O3:   KOX00290p   Pages Related to Peak C7H5O2:   KOX00290p   Pages Related to Peak C4H5O:   KOX00002p  KOX00004p  KOX00027p  KOX00067p  KOX00077p  KOX00102p  KOX00256p  KOX00266p  KOX00276p  KOX00290p  KOX00292p  KOX00313p  KOX00447p  KOX00483p  KOX00518p  KOX00526p  KOX00547p  KOX00573p  KOX00588p  KOX00662p  KOX00687p  KOX00708p  KOX00736p  KOX00739p  KOX00740p  KOX00774p  KOX00776p  KOX00794p  KOX00795p  KOX00799p  KOX00841p  KOX00893p   Pages Related to Peak C5H7:   KOX00041p  KOX00043p  KOX00067p  KOX00069p  KOX00095p  KOX00126p  KOX00174p  KOX00197p  KOX00290p  KOX00292p  KOX00343p  KOX00347p  KOX00393p  KOX00420p  KOX00469p  KOX00491p  KOX00499p  KOX00508p  KOX00512p  KOX00633p  KOX00645p  KOX00647p  KOX00649p  KOX00661p  KOX00685p  KOX00687p  KOX00691p  KOX00709p  KOX00710p  KOX00731p  KOX00736p  KOX00747p  KOX00762p  KOX00767p  KOX00769p  KOX00770p  KOX00782p  KOX00784p  KOX00808p  KOX00819p  KOX00822p  KOX00830p  KOX00865p  KOX00875p  KOX00887p  KOX00895p

Annotations

Precursor	Product	Comments
C11H20NO9 (310)	C11H18NO8 (292)	-H2O
C11H20NO9 (310)	C9H16NO7 (250)	b
C9H9O5 (197)	C9H7O4 (179)	IT
C9H9O5 (197)	C8H7O3 (151)	IT

Precursor-Product Relationship

[show] 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。

[hide] KOX00016p	310 C11H20NO9	292 C11H18NO8	274 C11H16NO7	256 C11H14NO6	250 C9H16NO7	232 C9H14NO6	215 C9H11O6	214 C9H12NO5	197 C9H9O5	179 C9H7O4	167 C8H7O4	151 C8H7O3	121 C7H5O2	69 C4H5O	67 C5H7
310 C11H20NO9
292 C11H18NO8	H2O
274 C11H16NO7	H4O2	H2O
256 C11H14NO6	H6O3	H4O2	H2O
250 C9H16NO7	C2H4O2	C2H2O	C2
232 C9H14NO6	C2H6O3	C2H4O2	C2H2O	C2	H2O
215 C9H11O6	C2H9NO3	C2H7NO2	C2H5NO	C2H3N	H5NO	H3N
214 C9H12NO5	C2H8O4	C2H6O3	C2H4O2	C2H2O	H4O2	H2O
197 C9H9O5	C2H11NO4	C2H9NO3	C2H7NO2	C2H5NO	H7NO2	H5NO	H2O	H3N
179 C9H7O4	C2H13NO5	C2H11NO4	C2H9NO3	C2H7NO2	H9NO3	H7NO2	H4O2	H5NO	H2O
167 C8H7O4	C3H13NO5	C3H11NO4	C3H9NO3	C3H7NO2	CH9NO3	CH7NO2	CH4O2	CH5NO	CH2O	C
151 C8H7O3	C3H13NO6	C3H11NO5	C3H9NO4	C3H7NO3	CH9NO4	CH7NO3	CH4O3	CH5NO2	CH2O2	CO	O
121 C7H5O2	C4H15NO7	C4H13NO6	C4H11NO5	C4H9NO4	C2H11NO5	C2H9NO4	C2H6O4	C2H7NO3	C2H4O3	C2H2O2	CH2O2	CH2O
69 C4H5O	C7H15NO8	C7H13NO7	C7H11NO6	C7H9NO5	C5H11NO6	C5H9NO5	C5H6O5	C5H7NO4	C5H4O4	C5H2O3	C4H2O3	C4H2O2	C3O
67 C5H7	C6H13NO9	C6H11NO8	C6H9NO7	C6H7NO6	C4H9NO7	C4H7NO6	C4H4O6	C4H5NO5	C4H2O5	C4O4	C3O4	C3O3

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