Ojima:PR101037p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

1-Isothiocyanato-9-(methylsulfinyl)-nonane

IDs and Links
MassBank	1-Isothiocyanato-9-(methylsulfinyl)-nonane
CAS	75272-82-1
Keio ID

Top 10 Similar Molecules of 1-Isothiocyanato-9-(methylsulfinyl)-nonane

Ranking	About scoring
B090+ Score:13.12 S013+ Score:13.12 A061+ Score:12.78 C114+ Score:9 A196+ Score:9 M039+ Score:8.66 D078+ Score:8.66 P206+ Score:7.39 L057+ Score:7.39 I063+ Score:7.39	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 C6H11:   A196+  S013+  B090+  C114+   Pages Related to Peak C6H9:   C040+  G075+  A061+  D078+  E013+  M039+   Pages Related to Peak C5H9:   A053+  A138+  A145+  E015+  F025+  F034+  G071+  I008+  L003+  N014+  P067+  S013+  T112+  A061+  B090+  C032+  D178+  I063+  L057+  P034+  P206+  P209+  T108+  A155+   Pages Related to Peak C4H7:   A053+  A135+  A189+  A196+  B020+  E015+  G003+  G032+  G050+  H064+  H073+  I015+  I022+  L003+  L004+  M035+  M078+  N009+  N018+  O009+  P048+  S013+  V001+  Z002+  A051+  A061+  A112+  A203+  A225+  B001+  B010+  B026+  B090+  C114+  D078+  D082+  D183+  E008+  F016+  G021+  H097+  I039+  I063+  L027+  L031+  L057+  M011+  M039+  M110+  M115+  O005+  P035+  P054+  P206+  S003+  V020+  D030+

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。

PR101037p	248 C11H22NOS2	184 C10H18NS	175 C9H19OS	128 C6H10NS	122 C9H14	114 C5H8NS	102 C4H8NS	100 C4H6NS	83 C6H11	81 C6H9	69 C5H9	65 CH5OS	55 C4H7
248 C11H22NOS2
184 C10H18NS	CH4OS
175 C9H19OS	C2H3NS
128 C6H10NS	C5H12OS	C4H8
122 C9H14	C2H8NOS2	CH4NS	H5OS
114 C5H8NS	C6H14OS	C5H10		CH2
102 C4H8NS	C7H14OS	C6H10		C2H2		C
100 C4H6NS	C7H16OS	C6H12		C2H4		CH2	H2
83 C6H11	C5H11NOS2	C4H7NS	C3H8OS		C3H3
81 C6H9	C5H13NOS2	C4H9NS	C3H10OS	HNS	C3H5				H2
69 C5H9	C6H13NOS2	C5H9NS	C4H10OS	CHNS	C4H5				CH2	C
65 CH5OS	C10H17NS		C8H14
55 C4H7	C7H15NOS2	C6H11NS	C5H12OS	C2H3NS	C5H7	CHNS	HNS		C2H4	C2H2	CH2

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

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