Ojima:KOX00754p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Hexamethylene tetramine

IDs and Links
MassBank	Hexamethylene tetramine
CAS
Keio ID	H112+

Top 10 Similar Molecules of Hexamethylene tetramine

Ranking	About scoring
H112+ Score:37.08 V020+ Score:11.61 S014+ Score:10.74 H058+ Score:9.31 T051+ Score:9.29 S011+ Score:9.29 A052+ Score:7.16 B010+ Score:5.94 L006+ Score:5.94 I046+ Score:5.72	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 C6H13N4:   L006+  B010+  H112+   Pages Related to Peak C5H10N3:   A093+  B019+  H058+  H112+   Pages Related to Peak C4H8N3:   H112+   Pages Related to Peak C4H9N2:   H112+  V020+   Pages Related to Peak C5H4N:   A043+  E012+  H015+  H027+  I066+  M037+  N004+  P014+  P053+  P068+  P094+  P113+  A052+  A068+  A123+  C089+  C170+  D032+  F013+  H021+  H058+  H112+  I017+  I051+  M063+  M066+  M111+  M172+  N001+  N016+  N067+  P045+  P056+  P057+  P079+  P099+  Q001+  Q008+  T060+  D030+  N044+   Pages Related to Peak C3H7N2:   F025+  A044+  A203+  H112+  M032+  V020+   Pages Related to Peak C3H8N:   A048+  A087+  A240+  B072+  D131+  H048+  H064+  I008+  N009+  A052+  A060+  A069+  A111+  A112+  A170+  A224+  B040+  B044+  B047+  B090+  C032+  C041+  C044+  C220+  D035+  D036+  D075+  H004+  H112+  I011+  I063+  L034+  M099+  M103+  P074+  P192+  S003+  S011+  T024+  T051+  V021+  H024+   Pages Related to Peak C2H6N:   A011+  A015+  S014+  T004+  E023+  M034+  T021+  T030+  A155+   Pages Related to Peak C2H4N:   S014+  I046+  S011+  T051+

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。

KOX00754p	141 C6H13N4	112 C5H10N3	98 C4H8N3	85 C4H9N2	78 C5H4N	71 C3H7N2	58 C3H8N	44 C2H6N	42 C2H4N
141 C6H13N4
112 C5H10N3	CH3N
98 C4H8N3	C2H5N	CH2
85 C4H9N2	C2H4N2	CHN
78 C5H4N	CH9N3	H6N2
71 C3H7N2	C3H6N2	C2H3N	CHN	CH2
58 C3H8N	C3H5N3	C2H2N2	CN2	CHN
44 C2H6N	C4H7N3	C3H4N2	C2H2N2	C2H3N		CHN	CH2
42 C2H4N	C4H9N3	C3H6N2	C2H4N2	C2H5N	C3	CH3N	CH4	H2

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