MassBank:KOX00739p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Galactosamine

IDs and Links
MassBank	Galactosamine
CAS	7535-00-4
Keio ID	G046+

Top 10 Similar Molecules of Galactosamine

Ranking	About scoring
KOX00740p Score:71.66 KOX00794p Score:61.5 KOX00292p Score:48.6 KOX00102p Score:34.99 KOX00795p Score:34.51 KOX00547p Score:33.83 KOX00736p Score:29.86 KOX00067p Score:26 KOX00447p Score:19.34 KOX00440p Score:18.71	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
C6H14NO5 (180)	C6H11O5 (163)	a
C6H14NO5 (180)	C6H12NO4 (162)	-H2O
C6H14NO5 (180)	C2H6NO (60)	c[d]

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。

KOX00739p	180 C6H14NO5	163 C6H11O5	162 C6H12NO4	145 C6H9O4	144 C6H10NO3	126 C6H8NO2	98 C5H8NO	96 C5H6NO	89 C4H9O2	86 C4H8NO	85 C4H5O2	84 C4H6NO	80 C5H6N	72 C3H6NO	69 C4H5O	60 C2H6NO	57 C4H9
180 C6H14NO5
163 C6H11O5	H3N
162 C6H12NO4	H2O
145 C6H9O4	H5NO	H2O	H3N
144 C6H10NO3	H4O2		H2O
126 C6H8NO2	H6O3		H4O2		H2O
98 C5H8NO	CH6O4		CH4O3		CH2O2	CO
96 C5H6NO	CH8O4		CH6O3		CH4O2	CH2O	H2
89 C4H9O2	C2H5NO3	C2H2O3	C2H3NO2	C2O2	C2HNO
86 C4H8NO	C2H6O4		C2H4O3		C2H2O2	C2O	C
85 C4H5O2	C2H9NO3	C2H6O3	C2H7NO2	C2H4O2	C2H5NO	C2H3N			H4
84 C4H6NO	C2H8O4		C2H6O3		C2H4O2	C2H2O	CH2	C		H2
80 C5H6N	CH8O5		CH6O4		CH4O3	CH2O2	H2O	O
72 C3H6NO	C3H8O4		C3H6O3		C3H4O2	C3H2O	C2H2	C2		CH2		C
69 C4H5O	C2H9NO4	C2H6O4	C2H7NO3	C2H4O3	C2H5NO2	C2H3NO	CH3N	CHN	H4O	H3N	O	HN
60 C2H6NO	C4H8O4		C4H6O3		C4H4O2	C4H2O	C3H2	C3		C2H2		C2		C
57 C4H9	C2H5NO5	C2H2O5	C2H3NO4	C2O4	C2HNO3				O2

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