MassBank:KOX00668p

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Amikacin

IDs and Links
MassBank	Amikacin
CAS	37517-28-5
Keio ID	A239+

Top 10 Similar Molecules of Amikacin

Ranking	About scoring
KOX00794p Score:5.38 KOX00740p Score:5.38 KOX00739p Score:5.38 KOX00440p Score:5.38 KOX00292p Score:5.38 KOX00064p Score:5.38 KOX00905p Score:4.03 KOX00778p Score:4.03 KOX00743p Score:4.03 KOX00733p Score:4.03	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
C22H44N5O13 (586)	C18H37N4O11 (485)	b
C22H44N5O13 (586)	C16H33N4O9 (425)	a[c]
C22H44N5O13 (586)	C16H31N4O8 (407)	a,-H2O[c,-H2O]
C22H44N5O13 (586)	C14H28N3O8 (366)	e
C22H44N5O13 (586)	C6H12NO4 (162)	f,-H2O[g,-H2O]

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。

KOX00668p	586 C22H44N5O13	485 C18H37N4O11	467 C18H35N4O10	425 C16H33N4O9	407 C16H31N4O8	366 C14H28N3O8	324 C12H26N3O7	306 C12H24N3O6	264 C10H22N3O5	162 C6H12NO4	102 C4H8NO2
586 C22H44N5O13
485 C18H37N4O11	C4H7NO2
467 C18H35N4O10	C4H9NO3	H2O
425 C16H33N4O9	C6H11NO4	C2H4O2	C2H2O
407 C16H31N4O8	C6H13NO5	C2H6O3	C2H4O2	H2O
366 C14H28N3O8	C8H16N2O5	C4H9NO3	C4H7NO2	C2H5NO	C2H3N
324 C12H26N3O7	C10H18N2O6	C6H11NO4	C6H9NO3	C4H7NO2	C4H5NO	C2H2O
306 C12H24N3O6	C10H20N2O7	C6H13NO5	C6H11NO4	C4H9NO3	C4H7NO2	C2H4O2	H2O
264 C10H22N3O5	C12H22N2O8	C8H15NO6	C8H13NO5	C6H11NO4	C6H9NO3	C4H6O3	C2H4O2	C2H2O
162 C6H12NO4	C16H32N4O9	C12H25N3O7	C12H23N3O6	C10H21N3O5	C10H19N3O4	C8H16N2O4	C6H14N2O3	C6H12N2O2	C4H10N2O
102 C4H8NO2	C18H36N4O11	C14H29N3O9	C14H27N3O8	C12H25N3O7	C12H23N3O6	C10H20N2O6	C8H18N2O5	C8H16N2O4	C6H14N2O3	C2H4O2

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