Spectrum PR030009 for L-Histidine

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
HNDVDQJCIGZPNO-YFKPBYRVSA-N
C6H9N3O2
155.069476528
O=C(O)C(N)CC1=CN=CN1

Mass Spectral Metadata

NameValue
PR030009
2016.01.19 (Created 2007.05.08, modified 2011.05.06)
Oikawa A, Plant Science Center, RIKEN.
CC BY-SA
155.06948
CE-system connected to 6210 Time-of-Flight MS, Agilent
CE-ESI-TOF
MS1
7 L/min
300 C
110 V
ESI
0/10/10 psig
160 V
1.5 cycle/sec
m/z 50-1000
50 V
30 min
4000 V
Fused sillica capillary id=50 um L=100 cm (HMT Inc., Tsuruoka, Japan)
20 C
10 uL/min
1. 200 uM Methionine sulfone, 2. 200 uM 3-Aminopyrrolidine
1. 16.89 min, 2. 6.45 min
10.57 min
4 min
1 M Formic acid
30 kV
15 sec 50 mbar
Methanol-water (50% v/v) containing 0.5 uM reserpine
0/0.25/1 min
1 M Formic acid
[M+H]+
Analyst QS 1.1
positive
0.0
NaN