Logically speaking if you had a bad or incorrectly installed CPU Cooler than your overheating issues would occur all the time under heavy loads especially.
Your processor has a very high TDP Rating of 120 watts and Maximum Operating Temperature is 89c. So once it goes over 95c it probably very close to it critical shutdown temperature to prevent Processor and hardware damage.
But it is possible you have an intermittent AIO CPU Cooler problem.
Maybe the AIO pump gets stuck or turns very slowly causing the processor to overheat. Or the AIO Pump is not getting proper power from the Motherboard's Pump/Fan port during a cold start. If the pump is not working correctly that would cause the AIO fans to go full speed to try and cool your processor.
Try connecting the Pump directly to a Case fan port or using an adapter directly to the PSU and see if the problem continues. If it does that would eliminate the Motherboard and possibly the PSU.
But once the AIO starts working normally it is able to prevent your Processor from overheating and making it run relatively cool.
I would open a Deepcool Warranty ticket to see if they believe you might have a defective AIO unit.
Also I would download OCCT and run all three tests especially the PSU test and see if there are any abnormal Temperatures, Fan speeds, or PSU outputs especially the 12 vdc outputs.
But first I would open a DeepCool Warranty ticket to get their opinion if your AIO or pump is going bad.
NOTE: When it happens try tapping on top of the AIO Pump and see if the temperatures normalizes or not. If it does then you have a defective or sticky AIO pump .