Ojima:KOX00804p

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All Molecules KOX PR PBX COX

Ion Frequency

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Neutral Loss

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4,4-Methylene bis(o-chloroaniline)

IDs and Links
MassBank	4,4-Methylene bis(o-chloroaniline)
CAS	101-14-4
Keio ID	M142+

Top 10 Similar Molecules of 4,4-Methylene bis(o-chloroaniline)

Ranking	About scoring
M142+ Score:63.15 D128+ Score:18.59 I025+ Score:14.54 M089+ Score:11.95 N044+ Score:6.52 T031+ Score:6.52 T030+ Score:6.52 T028+ Score:6.52 T008+ Score:6.52 S041+ Score:6.52	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 C13H13Cl2N2:   M142+   Pages Related to Peak C13H12ClN2:   M142+   Pages Related to Peak C13H9ClN:   D128+  M142+   Pages Related to Peak C13H11N2:   M142+   Pages Related to Peak C13H10N:   D128+  E034+  M089+  M142+   Pages Related to Peak C13H8N:   D128+   Pages Related to Peak C12H10N:   C040+  I025+  M142+   Pages Related to Peak C12H9N:   I025+  M099+  M142+   Pages Related to Peak C12H7:   M089+  M142+   Pages Related to Peak C7H7ClN:   M142+   Pages Related to Peak C7H6N:   E033+  H139+  I030+  I038+  M037+  P014+  P053+  T054+  X004+  A035+  A068+  A123+  B004+  D087+  K004+  M101+  M111+  M142+  M169+  M172+  N016+  N067+  P057+  P079+  Q008+  S041+  T008+  T028+  T030+  T031+  N044+   Pages Related to Peak C6H5:   A010+  A043+  A050+  A053+  A067+  A110+  A130+  B007+  B015+  B018+  B020+  D046+  D051+  D166+  E012+  E033+  H029+  H139+  I015+  I019+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  M127+  N018+  P002+  P014+  P033+  P053+  P059+  P113+  S013+  T002+  T003+  T054+  T112+  X004+  A035+  A036+  A054+  A061+  A064+  A080+  B004+  B009+  B011+  B013+  B026+  C172+  D032+  D039+  D061+  D087+  D178+  D180+  D185+  E013+  F016+  G041+  H045+  I063+  I067+  K004+  K005+  L027+  L031+  M039+  M066+  M082+  M101+  M142+  M150+  M167+  M169+  M172+  N016+  N028+  N067+  O007+  P036+  P047+  P054+  P057+  P061+  P079+  Q001+  Q008+  S040+  S041+  S058+  T008+  T024+  T028+  T030+  T031+  T032+  T060+  T126+  D030+  A155+  N044+

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。

KOX00804p	267 C13H13Cl2N2	231 C13H12ClN2	214 C13H9ClN	196 C13H12N2	195 C13H11N2	180 C13H10N	178 C13H8N	168 C12H10N	167 C12H9N	151 C12H7	140 C7H7ClN	104 C7H6N	77 C6H5
267 C13H13Cl2N2
231 C13H12ClN2	HCl
214 C13H9ClN	H4ClN	H3N
196 C13H12N2	HCl2	Cl
195 C13H11N2	H2Cl2	HCl		H
180 C13H10N	H3Cl2N	H2ClN		H2N	HN
178 C13H8N	H5Cl2N	H4ClN	HCl	H4N	H3N	H2
168 C12H10N	CH3Cl2N	CH2ClN		CH2N	CHN	C
167 C12H9N	CH4Cl2N	CH3ClN	CCl	CH3N	CH2N	CH		H
151 C12H7	CH6Cl2N2	CH5ClN2	CH2ClN	CH5N2	CH4N2	CH3N	CHN	H3N	H2N
140 C7H7ClN	C6H6ClN	C6H5N	C6H2
104 C7H6N	C6H7Cl2N	C6H6ClN	C6H3Cl	C6H6N	C6H5N	C6H4	C6H2	C5H4	C5H3		HCl
77 C6H5	C7H8Cl2N2	C7H7ClN2	C7H4ClN	C7H7N2	C7H6N2	C7H5N	C7H3N	C6H5N	C6H4N	C6H2	CH2ClN	CHN

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