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3-Nitrobenzyl alcohol

suitable for mass spectrometry (MS), ≥99.5%

Synonym(s):

NOBA

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About This Item

Linear Formula:
O2NC6H4CH2OH
CAS Number:
Molecular Weight:
153.14
Beilstein:
2044769
EC Number:
MDL number:
UNSPSC Code:
12000000
PubChem Substance ID:
NACRES:
NA.21

Quality Level

Assay

≥99.5% (GC)
≥99.5%

form

(Powder or Crystals or Solid or Liquid)

technique(s)

H-NMR: suitable
mass spectrometry (MS): suitable

bp

175-180 °C/3 mmHg (lit.)

mp

26-32 °C (lit.)

density

1.29 g/mL at 20 °C (lit.)

SMILES string

OCc1cccc(c1)[N+]([O-])=O

InChI

1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2

InChI key

CWNPOQFCIIFQDM-UHFFFAOYSA-N

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General description

3-Nitrobenzyl alcohol (3-NBA) is most commonly used matrix for spectrometry methods. It helps in the analysis of porphyrins, cyclic peptides, alkali metal cationized fatty acids for collisional activation and also certain organoruthenium compounds.

Application

3-NBA has been used as liquid matrix in Ionization in liquid secondary ion mass spectrometry.

Other Notes

Matrix used in fast atom bombardment mass spectrometry

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

233.6 °F - closed cup

Flash Point(C)

112 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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T.W. Chan et al.
Org. Mass Spectrom., 27, 53-53 (1992)
3-Nitrobenzyl alcohol has wide applicability as a matrix for FAB-MS.
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Biological Mass Spectrometry, 17.4, 337-340 (1988)
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Org. Mass Spectrom., 19, 581-581 (1984)
S. Zhao et al.
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