MassBank:KOX00795p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Muramate

IDs and Links
MassBank	Muramate
CAS	1114-41-6
Keio ID	M082+

Top 10 Similar Molecules of Muramate

Ranking	About scoring
KOX00740p Score:34.51 KOX00739p Score:34.51 KOX00292p Score:34.51 KOX00102p Score:30.44 KOX00794p Score:30.07 KOX00736p Score:26 KOX00067p Score:26 KOX00547p Score:25.41 KOX00828p Score:16.82 KOX00720p Score:16.82	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
C9H18NO7 (252)	C9H16NO6 (234)	-H2O
C9H14NO5 (216)	C6H10NO3 (144)	IT
C9H14NO5 (216)	C6H8NO2 (126)	IT
C6H10NO3 (144)	C6H8NO2 (126)	IT

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。

KOX00795p	252 C9H18NO7	234 C9H16NO6	216 C9H14NO5	144 C6H10NO3	126 C6H8NO2	122 C8H12N	105 C8H9	98 C5H8NO	96 C5H6NO	86 C4H8NO	85 C4H5O2	84 C4H6NO	79 C6H7	77 C6H5	69 C4H5O
252 C9H18NO7
234 C9H16NO6	H2O
216 C9H14NO5	H4O2	H2O
144 C6H10NO3	C3H8O4	C3H6O3	C3H4O2
126 C6H8NO2	C3H10O5	C3H8O4	C3H6O3	H2O
122 C8H12N	CH6O7	CH4O6	CH2O5
105 C8H9	CH9NO7	CH7NO6	CH5NO5			H3N
98 C5H8NO	C4H10O6	C4H8O5	C4H6O4	CH2O2	CO
96 C5H6NO	C4H12O6	C4H10O5	C4H8O4	CH4O2	CH2O			H2
86 C4H8NO	C5H10O6	C5H8O5	C5H6O4	C2H2O2	C2O			C
85 C4H5O2	C5H13NO5	C5H11NO4	C5H9NO3	C2H5NO	C2H3N
84 C4H6NO	C5H12O6	C5H10O5	C5H8O4	C2H4O2	C2H2O			CH2	C	H2
79 C6H7	C3H11NO7	C3H9NO6	C3H7NO5	H3NO3	HNO2	C2H5N	C2H2
77 C6H5	C3H13NO7	C3H11NO6	C3H9NO5	H5NO3	H3NO2	C2H7N	C2H4						H2
69 C4H5O	C5H13NO6	C5H11NO5	C5H9NO4	C2H5NO2	C2H3NO			CH3N	CHN	H3N	O	HN

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