Ojima:PR100166p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

L-Homocystine

IDs and Links
MassBank	L-Homocystine
CAS	626-72-2
Keio ID

Top 10 Similar Molecules of L-Homocystine

Ranking	About scoring
A059+ Score:12.87 C047+ Score:12.46 M126+ Score:6.23	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 C4H8NO2S:   A059+  C047+   Pages Related to Peak C4H3OS:   A059+   Pages Related to Peak C3H6NS:   C047+  M126+

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。

PR100166p	269 C8H17N2O4S2	136 C4H10NO2S	134 C4H8NO2S	118 C4H8NOS	99 C4H3OS	90 C3H8NS	88 C3H6NS
269 C8H17N2O4S2
136 C4H10NO2S	C4H7NO2S
134 C4H8NO2S	C4H9NO2S	H2
118 C4H8NOS	C4H9NO3S	H2O	O
99 C4H3OS	C4H14N2O3S	H7NO	H5NO	H5N
90 C3H8NS	C5H9NO4S	CH2O2	CO2	CO
88 C3H6NS	C5H11NO4S	CH4O2	CH2O2	CH2O		H2

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

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