MassBank:KOX00401p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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S-Lactoylglutathione

IDs and Links
MassBank	S-Lactoylglutathione
CAS	25138-66-3
Keio ID	L016+

Top 10 Similar Molecules of S-Lactoylglutathione

Ranking	About scoring
KOX00739p Score:8.24 KOX00705p Score:8.24 KOX00702p Score:8.24 KOX00306p Score:8.24 KOX00909p Score:4.44 KOX00892p Score:4.44 KOX00851p Score:4.44 KOX00819p Score:4.44 KOX00730p Score:4.44 KOX00672p Score:4.44	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
C13H22N3O8S (380)	C11H17N2O6S (305)	f[g]
C13H22N3O8S (380)	C8H15N2O5S (251)	d
C8H15N2O5S (251)	C8H13N2O4S (233)	IT
C8H15N2O5S (251)	C6H10NO3S (176)	IT
C8H15N2O5S (251)	C5H10NO2S (148)	IT
C8H13N2O4S (233)	C5H8NOS (130)	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。

KOX00401p	380 C13H22N3O8S	348 C12H18N3O7S	305 C11H17N2O6S	251 C8H15N2O5S	233 C8H13N2O4S	176 C6H10NO3S	162 C5H8NO3S	149 C8H5O3	148 C5H10NO2S	130 C5H8NOS	116 C4H6NOS	84 C4H6NO	76 C2H6NS	57 C4H9
380 C13H22N3O8S
348 C12H18N3O7S	CH4O
305 C11H17N2O6S	C2H5NO2	CHNO
251 C8H15N2O5S	C5H7NO3	C4H3NO2	C3H2O
233 C8H13N2O4S	C5H9NO4	C4H5NO3	C3H4O2	H2O
176 C6H10NO3S	C7H12N2O5	C6H8N2O4	C5H7NO3	C2H5NO2	C2H3NO
162 C5H8NO3S	C8H14N2O5	C7H10N2O4	C6H9NO3	C3H7NO2	C3H5NO	CH2
149 C8H5O3	C5H17N3O5S	C4H13N3O4S	C3H12N2O3S	H10N2O2S	H8N2OS
148 C5H10NO2S	C8H12N2O6	C7H8N2O5	C6H7NO4	C3H5NO3	C3H3NO2	CO
130 C5H8NOS	C8H14N2O7	C7H10N2O6	C6H9NO5	C3H7NO4	C3H5NO3	CH2O2	O2		H2O
116 C4H6NOS	C9H16N2O7	C8H12N2O6	C7H11NO5	C4H9NO4	C4H7NO3	C2H4O2	CH2O2		CH4O	CH2
84 C4H6NO	C9H16N2O7S	C8H12N2O6S	C7H11NO5S	C4H9NO4S	C4H7NO3S	C2H4O2S	CH2O2S		CH4OS	CH2S	S
76 C2H6NS	C11H16N2O8	C10H12N2O7	C9H11NO6	C6H9NO5	C6H7NO4	C4H4O3	C3H2O3		C3H4O2	C3H2O	C2O
57 C4H9	C9H13N3O8S	C8H9N3O7S	C7H8N2O6S	C4H6N2O5S	C4H4N2O4S	C2HNO3S			CHNO2S

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