MassBank:KOX00140p

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Ion Frequency

Prec.-Product

Neutral Loss

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Cysteine sulfinate

IDs and Links
MassBank	Cysteine sulfinate
CAS	1115-65-7
Keio ID	C015+

Top 10 Similar Molecules of Cysteine sulfinate

Ranking	About scoring
KOX00646p Score:13.66 KOX00251p Score:13.66 KOX00029p Score:13.66 KOX00014p Score:13.66 KOX00012p Score:13.66 KOX00642p Score:9.97 KOX00223p Score:9.97 KOX00833p Score:9.69 KOX00701p Score:9.69 KOX00554p Score:9.69	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 C2H6NO2S:   KOX00584p   Pages Related to Peak C3H6NO2:   KOX00012p  KOX00014p  KOX00029p  KOX00251p  KOX00554p  KOX00628p  KOX00646p  KOX00688p  KOX00701p  KOX00833p   Pages Related to Peak C2H4NO2:   KOX00012p  KOX00014p  KOX00024p  KOX00029p  KOX00051p  KOX00069p  KOX00086p  KOX00122p  KOX00167p  KOX00251p  KOX00254p  KOX00268p  KOX00288p  KOX00308p  KOX00335p  KOX00343p  KOX00393p  KOX00406p  KOX00454p  KOX00499p  KOX00582p  KOX00593p  KOX00646p  KOX00676p  KOX00702p  KOX00729p  KOX00748p  KOX00766p   Pages Related to Peak C3H5O2:   KOX00008p  KOX00010p  KOX00018p  KOX00223p  KOX00518p  KOX00588p  KOX00642p  KOX00799p   Pages Related to Peak C3H4NO:   KOX00012p  KOX00014p  KOX00029p  KOX00251p  KOX00499p  KOX00554p  KOX00646p  KOX00701p  KOX00724p  KOX00833p  KOX00893p  KOX00903p   Pages Related to Peak C3H3O:   KOX00064p  KOX00083p  KOX00176p  KOX00223p  KOX00266p  KOX00290p  KOX00377p  KOX00476p  KOX00529p  KOX00642p  KOX00808p

Annotations

Precursor	Product	Comments
C3H8NO4S (154)	C3H6NO3S (136)	-H2O
C3H8NO4S (154)	C2H6NO2S (108)	c
C3H8NO4S (154)	C3H7NO2 (89)	b,rad.
C3H8NO4S (154)	C3H6NO2 (88)	b
C3H8NO4S (154)	C2H4NO2 (74)	a

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。

KOX00140p	154 C3H8NO4S	136 C3H6NO3S	108 C2H6NO2S	89 C3H7NO2	88 C3H6NO2	74 C2H4NO2	73 C3H5O2	71 C3H5NO	70 C3H4NO	55 C3H3O
154 C3H8NO4S
136 C3H6NO3S	H2O
108 C2H6NO2S	CH2O2	CO
89 C3H7NO2	HO2S
88 C3H6NO2	H2O2S	OS		H
74 C2H4NO2	CH4O2S	CH2OS	H2S	CH3	CH2
73 C3H5O2	H3NO2S	HNOS		H2N	HN
71 C3H5NO	H3O3S	HO2S		H2O	HO
70 C3H4NO	H4O3S	H2O2S		H3O	H2O			H
55 C3H3O	H5NO3S	H3NO2S		H4NO	H3NO		H2O	H2N	HN

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