Ojima:KOX00223p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Daminozide

IDs and Links
MassBank	Daminozide
CAS	1596-84-5
Keio ID	D173+

Top 10 Similar Molecules of Daminozide

Ranking	About scoring
D173+ Score:68.43 A155+ Score:22.44 A052+ Score:13.9 C015+ Score:9.79 C008+ Score:9.65 A021+ Score:9.13 A015+ Score:9.13 A011+ Score:9.13 A138+ Score:8.87 D037+ 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 C6H13N2O3:   D173+  A155+   Pages Related to Peak C6H11N2O2:   D173+  E011+  P039+  D183+  A155+   Pages Related to Peak C5H11N2O:   A032+  C013+  D173+  G117+  O003+  O005+  P105+  A155+   Pages Related to Peak C4H5O3:   D173+   Pages Related to Peak C4H6NO2:   D173+   Pages Related to Peak C3H7N2O:   A016+  D173+  G037+  C008+  A155+   Pages Related to Peak C4H4NO:   D173+  T015+  M029+   Pages Related to Peak C3H5O2:   A011+  A015+  A021+  C015+  D173+  P067+  T014+  A052+  M110+   Pages Related to Peak C3H6NO:   A011+  A015+  A021+  A138+  C034+  C094+  D173+  E005+  G061+  G065+  P032+  A051+  A052+  A111+  A197+  C008+  D122+  G046+  G051+  L047+  M081+  N063+  P177+  S044+   Pages Related to Peak C2H9N2:   D173+   Pages Related to Peak C2H7N2:   D173+  D037+   Pages Related to Peak C3H3O:   A110+  A138+  C015+  C127+  D173+  G015+  G062+  I025+  O008+  P092+  A052+  M169+

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。

KOX00223p	161 C6H13N2O3	143 C6H11N2O2	115 C5H11N2O	101 C4H5O3	100 C4H6NO2	87 C3H7N2O	82 C4H4NO	73 C3H5O2	72 C3H6NO	61 C2H9N2	59 C2H7N2	55 C3H3O
161 C6H13N2O3
143 C6H11N2O2	H2O
115 C5H11N2O	CH2O2	CO
101 C4H5O3	C2H8N2
100 C4H6NO2	C2H7NO	C2H5N
87 C3H7N2O	C3H6O2	C3H4O	C2H4
82 C4H4NO	C2H9NO2	C2H7NO	CH7N		H2O
73 C3H5O2	C3H8N2O	C3H6N2		CO	CHN
72 C3H6NO	C3H7NO2	C3H5NO	C2H5N		CO	HN
61 C2H9N2	C4H4O3	C4H2O2	C3H2O
59 C2H7N2	C4H6O3	C4H4O2	C3H4O			CO				H2
55 C3H3O	C3H10N2O2	C3H8N2O	C2H8N2	CH2O2	CH3NO	H4N2	CHN	H2O	H3N

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