MassBank:KOX00124p

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Ion Frequency

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Blasticidin S

IDs and Links
MassBank	Blasticidin S
CAS	2079-00-7
Keio ID	B019+

Top 10 Similar Molecules of Blasticidin S

Ranking	About scoring
KOX00736p Score:17.97 KOX00138p Score:14.57 KOX00757p Score:13.47 KOX00062p Score:12.58 KOX00292p Score:12.43 KOX00347p Score:11.19 KOX00826p Score:9.61 KOX00730p Score:9.61 KOX00531p Score:9.61 KOX00462p Score:9.4	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

Page list for each fragment

Pages Related to Peak C7H17N4O2:   KOX00347p   Pages Related to Peak C7H12N3O:   KOX00062p   Pages Related to Peak C6H8NO3:   KOX00138p   Pages Related to Peak C6H6NO2:   KOX00462p  KOX00531p  KOX00730p  KOX00757p  KOX00826p   Pages Related to Peak C5H10N3:   KOX00062p  KOX00749p  KOX00754p   Pages Related to Peak C5H8NO:   KOX00051p  KOX00064p  KOX00067p  KOX00102p  KOX00292p  KOX00440p  KOX00459p  KOX00547p  KOX00676p  KOX00687p  KOX00736p  KOX00739p  KOX00740p  KOX00794p  KOX00795p  KOX00868p   Pages Related to Peak C5H6NO:   KOX00067p  KOX00102p  KOX00138p  KOX00288p  KOX00292p  KOX00531p  KOX00547p  KOX00642p  KOX00730p  KOX00736p  KOX00739p  KOX00740p  KOX00744p  KOX00745p  KOX00757p  KOX00760p  KOX00788p  KOX00794p  KOX00795p  KOX00800p  KOX00810p  KOX00826p  KOX00840p  KOX00847p  KOX00886p   Pages Related to Peak C5H5O:   KOX00197p  KOX00241p  KOX00245p  KOX00552p  KOX00736p   Pages Related to Peak CH6N3:   KOX00029p  KOX00233p  KOX00276p  KOX00347p  KOX00420p  KOX00478p  KOX00652p  KOX00653p  KOX00666p  KOX00672p  KOX00676p  KOX00737p  KOX00781p  KOX00848p  KOX00881p   Pages Related to Peak C4H5:   KOX00006p  KOX00032p  KOX00079p  KOX00138p  KOX00241p  KOX00245p  KOX00292p  KOX00302p  KOX00422p  KOX00462p  KOX00474p  KOX00487p  KOX00491p  KOX00672p  KOX00691p  KOX00719p  KOX00720p  KOX00736p  KOX00752p  KOX00757p  KOX00760p  KOX00775p  KOX00784p  KOX00788p  KOX00810p  KOX00811p  KOX00817p  KOX00825p  KOX00853p  KOX00863p  KOX00912p

Annotations

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。

KOX00124p	423 C17H27N8O5	312 C13H22N5O4	295 C13H19N4O4	268 C12H22N5O2	251 C12H19N4O2	222 C11H12NO4	204 C11H10NO3	189 C7H17N4O2	188 C7H18N5O	171 C7H15N4O	154 C7H12N3O	142 C6H8NO3	129 C5H13N4	124 C6H6NO2	112 C5H10N3	98 C5H8NO	96 C5H6NO	81 C5H5O	74 C2H8N3	60 CH6N3	53 C4H5
423 C17H27N8O5
312 C13H22N5O4	C4H5N3O
295 C13H19N4O4	C4H8N4O	H3N
268 C12H22N5O2	C5H5N3O3	CO2
251 C12H19N4O2	C5H8N4O3	CH3NO2	CO2	H3N
222 C11H12NO4	C6H15N7O	C2H10N4	C2H7N3
204 C11H10NO3	C6H17N7O2	C2H12N4O	C2H9N3O			H2O
189 C7H17N4O2	C10H10N4O3	C6H5NO2	C6H2O2	C5H5N	C5H2
188 C7H18N5O	C10H9N3O4	C6H4O3		C5H4O
171 C7H15N4O	C10H12N4O4	C6H7NO3	C6H4O3	C5H7NO	C5H4O			H2O	H3N
154 C7H12N3O	C10H15N5O4	C6H10N2O3	C6H7NO3	C5H10N2O	C5H7NO			H5NO	H6N2	H3N
142 C6H8NO3	C11H19N7O2	C7H14N4O	C7H11N3O			C5H4O	C5H2
129 C5H13N4	C12H14N4O5	C8H9NO4	C8H6O4	C7H9NO2	C7H6O2			C2H4O2	C2H5NO	C2H2O
124 C6H6NO2	C11H21N7O3	C7H16N4O2	C7H13N3O2	C6H16N4	C6H13N3	C5H6O2	C5H4O	CH11N3				H2O
112 C5H10N3	C12H17N5O5	C8H12N2O4	C8H9NO4	C7H12N2O2	C7H9NO2			C2H7NO2	C2H8N2O	C2H5NO	C2H2O		H3N
98 C5H8NO	C12H19N7O4	C8H14N4O3	C8H11N3O3	C7H14N4O	C7H11N3O	C6H4O3	C6H2O2	C2H9N3O	C2H10N4	C2H7N3	C2H4N2	CO2
96 C5H6NO	C12H21N7O4	C8H16N4O3	C8H13N3O3	C7H16N4O	C7H13N3O	C6H6O3	C6H4O2	C2H11N3O	C2H12N4	C2H9N3	C2H6N2	CH2O2		CO		H2
81 C5H5O	C12H22N8O4	C8H17N5O3	C8H14N4O3	C7H17N5O	C7H14N4O	C6H7NO3	C6H5NO2	C2H12N4O	C2H13N5	C2H10N4	C2H7N3	CH3NO2		CHNO		H3N	HN
74 C2H8N3	C15H19N5O5	C11H14N2O4	C11H11NO4	C10H14N2O2	C10H11NO2			C5H9NO2	C5H10N2O	C5H7NO	C5H4O		C3H5N		C3H2
60 CH6N3	C16H21N5O5	C12H16N2O4	C12H13NO4	C11H16N2O2	C11H13NO2			C6H11NO2	C6H12N2O	C6H9NO	C6H6O		C4H7N		C4H4				CH2
53 C4H5	C13H22N8O5	C9H17N5O4	C9H14N4O4	C8H17N5O2	C8H14N4O2	C7H7NO4	C7H5NO3	C3H12N4O2	C3H13N5O	C3H10N4O	C3H7N3O	C2H3NO3	CH8N4	C2HNO2	CH5N3	CH3NO	CHNO	CO

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