MassBank:KOX00740p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Glucosamine

IDs and Links
MassBank	Glucosamine
CAS	3416-24-8
Keio ID	G051+

Top 10 Similar Molecules of Glucosamine

Ranking	About scoring
KOX00739p Score:71.66 KOX00794p Score:67.73 KOX00292p Score:48.6 KOX00102p Score:40.13 KOX00547p Score:35.1 KOX00795p Score:34.51 KOX00736p Score:26 KOX00067p Score:26 KOX00447p Score:25.06 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。

Links

Annotations

Precursor	Product	Comments
C6H14NO5 (180)	C6H11O5 (163)	a
C6H14NO5 (180)	C6H12NO4 (162)	-H2O
C6H14NO5 (180)	C2H6NO (60)	b[c]

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。

KOX00740p	180 C6H14NO5	163 C6H11O5	162 C6H12NO4	145 C6H9O4	144 C6H10NO3	127 C6H7O3	126 C6H8NO2	114 C5H8NO2	107 C4H11O3	101 C6H13O	98 C5H8NO	96 C5H6NO	89 C4H9O2	86 C4H8NO	85 C4H5O2	84 C4H6NO	72 C3H6NO	69 C4H5O	60 C2H6NO
180 C6H14NO5
163 C6H11O5	H3N
162 C6H12NO4	H2O
145 C6H9O4	H5NO	H2O	H3N
144 C6H10NO3	H4O2		H2O
127 C6H7O3	H7NO2	H4O2	H5NO	H2O	H3N
126 C6H8NO2	H6O3		H4O2		H2O
114 C5H8NO2	CH6O3		CH4O2		CH2O		C
107 C4H11O3	C2H3NO2	C2O2	C2HNO
101 C6H13O	HNO4
98 C5H8NO	CH6O4		CH4O3		CH2O2		CO	O
96 C5H6NO	CH8O4		CH6O3		CH4O2		CH2O	H2O			H2
89 C4H9O2	C2H5NO3	C2H2O3	C2H3NO2	C2O2	C2HNO				H2O
86 C4H8NO	C2H6O4		C2H4O3		C2H2O2		C2O	CO			C
85 C4H5O2	C2H9NO3	C2H6O3	C2H7NO2	C2H4O2	C2H5NO	C2H2O	C2H3N	CH3N	H6O				H4
84 C4H6NO	C2H8O4		C2H6O3		C2H4O2		C2H2O	CH2O			CH2	C		H2
72 C3H6NO	C3H8O4		C3H6O3		C3H4O2		C3H2O	C2H2O			C2H2	C2		CH2		C
69 C4H5O	C2H9NO4	C2H6O4	C2H7NO3	C2H4O3	C2H5NO2	C2H2O2	C2H3NO	CH3NO	H6O2	C2H8	CH3N	CHN	H4O	H3N	O	HN
60 C2H6NO	C4H8O4		C4H6O3		C4H4O2		C4H2O	C3H2O			C3H2	C3		C2H2		C2	C

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)