MassBank:KOX00662p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

2-Amino-2-(hydroxymethyl)-1,3-propanediol

IDs and Links
MassBank	2-Amino-2-(hydroxymethyl)-1,3-propanediol
CAS	77-86-1
Keio ID	A194+

Top 10 Similar Molecules of 2-Amino-2-(hydroxymethyl)-1,3-propanediol

Ranking	About scoring
KOX00276p Score:22.02 KOX00002p Score:19.04 KOX00778p Score:12.76 KOX00640p Score:12.76 KOX00593p Score:12.76 KOX00586p Score:12.76 KOX00888p Score:12.35 KOX00547p Score:12.3 KOX00313p Score:10.85 KOX00039p Score:10.76	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

Annotations

Precursor	Product	Comments
C4H12NO3 (122)	C4H9O3 (105)	c
C4H12NO3 (122)	C4H10NO2 (104)	b
C4H12NO3 (122)	C3H8NO2 (90)	a

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。

KOX00662p	122 C4H12NO3	105 C4H9O3	104 C4H10NO2	90 C3H8NO2	87 C4H7O2	86 C4H8NO	74 C3H8NO	69 C4H5O	68 C4H6N	57 C3H5O	56 C3H6N
122 C4H12NO3
105 C4H9O3	H3N
104 C4H10NO2	H2O
90 C3H8NO2	CH4O		CH2
87 C4H7O2	H5NO	H2O	H3N
86 C4H8NO	H4O2		H2O
74 C3H8NO	CH4O2		CH2O	O		C
69 C4H5O	H7NO2	H4O2	H5NO		H2O	H3N
68 C4H6N	H6O3		H4O2			H2O
57 C3H5O	CH7NO2	CH4O2	CH5NO	H3NO	CH2O	CH3N	H3N	C
56 C3H6N	CH6O3		CH4O2	H2O2		CH2O	H2O		C

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)