Ojima:KOX00776p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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1-Methyl-2-pyrrolidone

IDs and Links
MassBank	1-Methyl-2-pyrrolidone
CAS	872-50-4
Keio ID	M024+

Top 10 Similar Molecules of 1-Methyl-2-pyrrolidone

Ranking	About scoring
M024+ Score:19.57 H064+ Score:9.82 A135+ Score:9.82 C043+ Score:8.24 P067+ Score:8.24 P042+ Score:6.23 I064+ Score:6.23 A166+ Score:5.94 D037+ Score:5.94 D122+ Score:5.38	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 C5H10NO:   A135+  H064+  A111+  A112+  D122+  M024+   Pages Related to Peak C5H8N:   A135+  A140+  H064+  P067+  A069+  A080+  A197+  C043+  H045+  M024+  N016+  P054+  S040+  T024+  T061+  D030+  M022+   Pages Related to Peak C4H5O:   A002+  A007+  A018+  A037+  A122+  A133+  A191+  G003+  G015+  G032+  G062+  G065+  H013+  M080+  O015+  P067+  P075+  R016+  S049+  T014+  A194+  C043+  D069+  G021+  G046+  G051+  M011+  M024+  M081+  M082+  M110+  P081+  U006+   Pages Related to Peak C2H4NO:   D037+  M024+  A166+   Pages Related to Peak C3H5:   I064+  P042+

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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。

KOX00776p	100 C5H10NO	82 C5H8N	69 C4H5O	58 C2H4NO	41 C3H5	39 C3H3
100 C5H10NO
82 C5H8N	H2O
69 C4H5O	CH5N
58 C2H4NO	C3H6
41 C3H5	C2H5NO	C2H3N	CO
39 C3H3	C2H7NO	C2H5N	CH2O		H2

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