Ojima:KOX00663p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Ampicillin

IDs and Links
MassBank	Ampicillin
CAS	69-53-4
Keio ID	A197+

Top 10 Similar Molecules of Ampicillin

Ranking	About scoring
K004+ Score:13.55 P061+ Score:11.24 M127+ Score:11.24 T031+ Score:10.98 M172+ Score:10.98 M103+ Score:10.98 M101+ Score:10.98 A068+ Score:10.98 T054+ Score:10.98 M053+ Score:10.98	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 C16H20N3O4S:   A197+   Pages Related to Peak C10H8NO2:   K004+   Pages Related to Peak C6H10NO2S:   F034+  P039+   Pages Related to Peak C8H8N:   A067+  C057+  E033+  E034+  H027+  H139+  I025+  I050+  M040+  M053+  P002+  P059+  P075+  T002+  T003+  T054+  A068+  A069+  A123+  A137+  B013+  C043+  D039+  D122+  E007+  K004+  M101+  M103+  M169+  M172+  N016+  P070+  Q001+  S041+  S058+  T030+  T031+  T032+  N044+   Pages Related to Peak C7H8N:   E012+  I050+  M040+  M053+  M127+  P014+  P053+  P113+  T054+  A035+  A036+  A068+  D032+  D178+  D180+  M101+  M103+  M111+  M172+  N016+  P061+  P206+  S041+  T031+  N044+   Pages Related to Peak C7H7:   A067+  B015+  B018+  B020+  C040+  D046+  E033+  E034+  H027+  H139+  I025+  M040+  M053+  M127+  N018+  P002+  P059+  S013+  T002+  T003+  T054+  Z003+  A061+  A068+  A080+  A137+  A226+  B013+  C172+  D039+  D087+  D122+  D185+  E013+  F016+  G041+  H045+  K004+  L031+  M071+  M101+  M103+  M167+  M169+  M172+  P061+  P070+  P206+  Q001+  S058+  T008+  T024+  T030+  T031+  T032+  T044+  D030+   Pages Related to Peak C6H7:   A053+  A067+  B020+  C063+  E012+  E033+  M127+  P002+  P113+  A035+  A061+  B009+  B090+  D032+  D039+  D178+  D180+  E013+  L031+  M039+  M082+  M167+  N028+  P047+  P061+  S040+  T041+  T060+  T126+  A082+

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。

KOX00663p	350 C16H20N3O4S	174 C10H8NO2	160 C6H10NO2S	118 C8H8N	114 C5H8NS	106 C7H8N	91 C7H7	79 C6H7
350 C16H20N3O4S
174 C10H8NO2	C6H12N2O2S
160 C6H10NO2S	C10H10N2O2
118 C8H8N	C8H12N2O4S	C2O2
114 C5H8NS	C11H12N2O4		CH2O2
106 C7H8N	C9H12N2O4S	C3O2		C
91 C7H7	C9H13N3O4S	C3HNO2		CHN		HN
79 C6H7	C10H13N3O4S	C4HNO2	H3NO2S	C2HN		CHN	C

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