MassBank:KOX00102p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetylmuramate

IDs and Links
MassBank	N-Acetylmuramate
CAS	61633-75-8
Keio ID	A191+

Top 10 Similar Molecules of N-Acetylmuramate

Ranking	About scoring
KOX00067p Score:43.89 KOX00740p Score:40.13 KOX00547p Score:35.1 KOX00739p Score:34.99 KOX00292p Score:34.99 KOX00794p Score:30.55 KOX00795p Score:30.44 KOX00736p Score:26 KOX00083p Score:14.13 KOX00744p Score:13.64	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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Annotations

Precursor	Product	Comments
C11H20NO8 (294)	C11H18NO7 (276)	-H2O
C8H10NO3 (168)	C7H8NO2 (138)	IT
C7H8NO2 (138)	C5H8NO2* (114)	ITinc

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。

KOX00102p	294 C11H20NO8	276 C11H18NO7	221 C9H17O6	203 C9H15O5	186 C8H12NO4	168 C8H10NO3	157 C7H9O4	144 C6H10NO3	138 C7H8NO2	126 C6H8NO2	114 C5H8NO2	109 C6H5O2	98 C5H8NO	96 C5H6NO	86 C4H8NO	84 C4H6NO	69 C4H5O	60 C2H6NO
294 C11H20NO8
276 C11H18NO7	H2O
221 C9H17O6	C2H3NO2	C2HNO
203 C9H15O5	C2H5NO3	C2H3NO2	H2O
186 C8H12NO4	C3H8O4	C3H6O3
168 C8H10NO3	C3H10O5	C3H8O4			H2O
157 C7H9O4	C4H11NO4	C4H9NO3	C2H8O2	C2H6O	CH3N
144 C6H10NO3	C5H10O5	C5H8O4			C2H2O	C2
138 C7H8NO2	C4H12O6	C4H10O5			CH4O2	CH2O
126 C6H8NO2	C5H12O6	C5H10O5			C2H4O2	C2H2O		H2O	C
114 C5H8NO2	C6H12O6	C6H10O5			C3H4O2	C3H2O		CH2O	C2	C
109 C6H5O2	C5H15NO6	C5H13NO5	C3H12O4	C3H10O3	C2H7NO2	C2H5NO	CH4O2	H5NO	CH3N	H3N
98 C5H8NO	C6H12O7	C6H10O6			C3H4O3	C3H2O2		CH2O2	C2O	CO	O
96 C5H6NO	C6H14O7	C6H12O6			C3H6O3	C3H4O2		CH4O2	C2H2O	CH2O	H2O		H2
86 C4H8NO	C7H12O7	C7H10O6			C4H4O3	C4H2O2		C2H2O2	C3O	C2O	CO		C
84 C4H6NO	C7H14O7	C7H12O6			C4H6O3	C4H4O2		C2H4O2	C3H2O	C2H2O	CH2O		CH2	C	H2
69 C4H5O	C7H15NO7	C7H13NO6	C5H12O5	C5H10O4	C4H7NO3	C4H5NO2	C3H4O3	C2H5NO2	C3H3NO	C2H3NO	CH3NO	C2O	CH3N	CHN	H3N	HN
60 C2H6NO	C9H14O7	C9H12O6			C6H6O3	C6H4O2		C4H4O2	C5H2O	C4H2O	C3H2O		C3H2	C3	C2H2	C2

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